5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;bis(5-tert-butyl-3-ethyl-1,2,4-oxadiazole);3-tert-butyl-1-ethylpyrrole;2-tert-butyl-4-methylfuran;5-tert-butyl-2-methyl-1,3-oxazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-1-methylpyrrole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;1-tert-butylpyrazole;(5-tert-butylthiophen-2-yl)methanol;1-tert-butyl-1,2,4-triazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole

C152H258F2N26O7S2 — CID 159788923

IUPAC5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;bis(5-tert-butyl-3-ethyl-1,2,4-oxadiazole);3-tert-butyl-1-ethylpyrrole;2-tert-butyl-4-methylfuran;5-tert-butyl-2-methyl-1,3-oxazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-1-methylpyrrole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;1-tert-butylpyrazole;(5-tert-butylthiophen-2-yl)methanol;1-tert-butyl-1,2,4-triazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole
SMILESC.C.C.CC(C)(C)c1ccc(CO)s1.CC(C)(C)c1nc(C2CC2)no1.CC(C)(C)n1cccn1.CC(C)(C)n1cncn1.CC(C)c1cc(C2CC2)no1.CC(C)c1cc[nH]c1.CC(C)c1cnn(C)c1.CC(F)(F)Cn1cc(C(C)(C)C)cn1.CCc1noc(C(C)(C)C)n1.CCc1noc(C(C)(C)C)n1.CCn1ccc(C(C)(C)C)c1.Cc1ccn(C(C)(C)C)c1.Cc1cn(C)cc1C(C)C.Cc1coc(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)o1.Cc1ncc(C(C)(C)C)s1.Cn1cccc1C(C)(C)C.Cn1ncc(C(C)(C)C)n1
InChIInChI=1S/C10H16F2N2.C10H17N.C9H14N2O.C9H13NO.3C9H15N.C9H14OS.C9H14O.2C8H14N2O.C8H13NO.C8H13NS.C7H13N3.2C7H12N2.C7H11N.C6H11N3.3CH4/c1-9(2,3)8-5-13-14(6-8)7-10(4,11)12;1-5-11-7-6-9(8-11)10(2,3)4;1-9(2,3)8-10-7(11-12-8)6-4-5-6;1-6(2)9-5-8(10-11-9)7-3-4-7;1-7(2)9-6-10(4)5-8(9)3;1-8-5-6-10(7-8)9(2,3)4;1-9(2,3)8-6-5-7-10(8)4;1-9(2,3)8-5-4-7(6-10)11-8;1-7-5-8(10-6-7)9(2,3)4;2*1-5-6-9-7(11-10-6)8(2,3)4;2*1-6-9-5-7(10-6)8(2,3)4;1-7(2,3)6-5-8-10(4)9-6;1-6(2)7-4-8-9(3)5-7;1-7(2,3)9-6-4-5-8-9;1-6(2)7-3-4-8-5-7;1-6(2,3)9-5-7-4-8-9;;;/h5-6H,7H2,1-4H3;6-8H,5H2,1-4H3;6H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3;3*5-7H,1-4H3;4-5,10H,6H2,1-3H3;5-6H,1-4H3;2*5H2,1-4H3;3*5H,1-4H3;2*4-6H,1-3H3;3-6,8H,1-2H3;4-5H,1-3H3;3*1H4
InChIKeyNIHOZLJSZAGLOF-UHFFFAOYSA-N
MW2664.04 g/mol
LogP41.58
Rot. Bonds12

About 5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;bis(5-tert-butyl-3-ethyl-1,2,4-oxadiazole);3-tert-butyl-1-ethylpyrrole;2-tert-butyl-4-methylfuran;5-tert-butyl-2-methyl-1,3-oxazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-1-methylpyrrole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;1-tert-butylpyrazole;(5-tert-butylthiophen-2-yl)methanol;1-tert-butyl-1,2,4-triazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole

5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;bis(5-tert-butyl-3-ethyl-1,2,4-oxadiazole);3-tert-butyl-1-ethylpyrrole;2-tert-butyl-4-methylfuran;5-tert-butyl-2-methyl-1,3-oxazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-1-methylpyrrole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;1-tert-butylpyrazole;(5-tert-butylthiophen-2-yl)methanol;1-tert-butyl-1,2,4-triazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole (PubChem CID 159788923) has the molecular formula C152H258F2N26O7S2 and a molecular weight of 2664.04 g/mol. Its IUPAC name is 5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;bis(5-tert-butyl-3-ethyl-1,2,4-oxadiazole);3-tert-butyl-1-ethylpyrrole;2-tert-butyl-4-methylfuran;5-tert-butyl-2-methyl-1,3-oxazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-1-methylpyrrole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;1-tert-butylpyrazole;(5-tert-butylthiophen-2-yl)methanol;1-tert-butyl-1,2,4-triazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole.

Molecular Properties

Compound Name5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;bis(5-tert-butyl-3-ethyl-1,2,4-oxadiazole);3-tert-butyl-1-ethylpyrrole;2-tert-butyl-4-methylfuran;5-tert-butyl-2-methyl-1,3-oxazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-1-methylpyrrole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;1-tert-butylpyrazole;(5-tert-butylthiophen-2-yl)methanol;1-tert-butyl-1,2,4-triazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole
PubChem CID159788923
Molecular FormulaC152H258F2N26O7S2
Molecular Weight2664.04 g/mol
Exact Mass2662.00
IUPAC Name5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;bis(5-tert-butyl-3-ethyl-1,2,4-oxadiazole);3-tert-butyl-1-ethylpyrrole;2-tert-butyl-4-methylfuran;5-tert-butyl-2-methyl-1,3-oxazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-1-methylpyrrole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;1-tert-butylpyrazole;(5-tert-butylthiophen-2-yl)methanol;1-tert-butyl-1,2,4-triazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole
SMILESC.C.C.CC(C)(C)c1ccc(CO)s1.CC(C)(C)c1nc(C2CC2)no1.CC(C)(C)n1cccn1.CC(C)(C)n1cncn1.CC(C)c1cc(C2CC2)no1.CC(C)c1cc[nH]c1.CC(C)c1cnn(C)c1.CC(F)(F)Cn1cc(C(C)(C)C)cn1.CCc1noc(C(C)(C)C)n1.CCc1noc(C(C)(C)C)n1.CCn1ccc(C(C)(C)C)c1.Cc1ccn(C(C)(C)C)c1.Cc1cn(C)cc1C(C)C.Cc1coc(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)o1.Cc1ncc(C(C)(C)C)s1.Cn1cccc1C(C)(C)C.Cn1ncc(C(C)(C)C)n1
InChIInChI=1S/C10H16F2N2.C10H17N.C9H14N2O.C9H13NO.3C9H15N.C9H14OS.C9H14O.2C8H14N2O.C8H13NO.C8H13NS.C7H13N3.2C7H12N2.C7H11N.C6H11N3.3CH4/c1-9(2,3)8-5-13-14(6-8)7-10(4,11)12;1-5-11-7-6-9(8-11)10(2,3)4;1-9(2,3)8-10-7(11-12-8)6-4-5-6;1-6(2)9-5-8(10-11-9)7-3-4-7;1-7(2)9-6-10(4)5-8(9)3;1-8-5-6-10(7-8)9(2,3)4;1-9(2,3)8-6-5-7-10(8)4;1-9(2,3)8-5-4-7(6-10)11-8;1-7-5-8(10-6-7)9(2,3)4;2*1-5-6-9-7(11-10-6)8(2,3)4;2*1-6-9-5-7(10-6)8(2,3)4;1-7(2,3)6-5-8-10(4)9-6;1-6(2)7-4-8-9(3)5-7;1-7(2,3)9-6-4-5-8-9;1-6(2)7-3-4-8-5-7;1-6(2,3)9-5-7-4-8-9;;;/h5-6H,7H2,1-4H3;6-8H,5H2,1-4H3;6H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3;3*5-7H,1-4H3;4-5,10H,6H2,1-3H3;5-6H,1-4H3;2*5H2,1-4H3;3*5H,1-4H3;2*4-6H,1-3H3;3-6,8H,1-2H3;4-5H,1-3H3;3*1H4
InChIKeyNIHOZLJSZAGLOF-UHFFFAOYSA-N
XLogP41.58
TPSA365.47 Ų
H-Bond Donors2
H-Bond Acceptors34
Rotatable Bonds12
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002664.04
LogP ≤ 541.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1034

Analyze 5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;bis(5-tert-butyl-3-ethyl-1,2,4-oxadiazole);3-tert-butyl-1-ethylpyrrole;2-tert-butyl-4-methylfuran;5-tert-butyl-2-methyl-1,3-oxazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-1-methylpyrrole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;1-tert-butylpyrazole;(5-tert-butylthiophen-2-yl)methanol;1-tert-butyl-1,2,4-triazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole with MolForge

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Launch Full Analysis

Related Compounds

1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 157067177
CID 157181702
CID 157181702
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;bis(5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole);1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 157501942
3-Tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3-(trifluoromethyl)-1,2-oxazole;3-cyclopropyl-2-methyl-5-propan-2-yl-1,2,4-oxadiazol-2-ium;1,5-dimethyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-yl-1,2,4-triazole
CID 157545873
3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;5-tert-butyl-3-(trifluoromethyl)-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;1-ethyl-4-propan-2-ylpyrazole;methane;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-ylpyrazole;4-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;1-propan-2-yl-1,2,4-triazole
CID 157603729
5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrrole;4-tert-butyl-2-methyltriazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;5-tert-butyl-3-propyl-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole
CID 157658282
CID 157902277
CID 157902277
5-Tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine
CID 157916697
CID 158046770
CID 158046770
5-Tert-butyl-3-cyclopropyl-1,2-oxazole;2-tert-butyl-4-ethylfuran;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;2-tert-butyl-4-(2,2,2-trifluoroethyl)-1,3-oxazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;methane;5-propan-2-yl-1,3-oxazole
CID 158177441
1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-2H-triazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-ylpyrazole;(5-propan-2-ylthiophen-2-yl)methanol;1-propan-2-yl-1,2,4-triazole
CID 158463660
2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;5-tert-butyl-3-propyl-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3-(1,1-difluoroethyl)-5-propan-2-yl-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1,2-oxazole
CID 158558344

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;bis(5-tert-butyl-3-ethyl-1,2,4-oxadiazole);3-tert-butyl-1-ethylpyrrole;2-tert-butyl-4-methylfuran;5-tert-butyl-2-methyl-1,3-oxazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-1-methylpyrrole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;1-tert-butylpyrazole;(5-tert-butylthiophen-2-yl)methanol;1-tert-butyl-1,2,4-triazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole?
The IUPAC name of 5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;bis(5-tert-butyl-3-ethyl-1,2,4-oxadiazole);3-tert-butyl-1-ethylpyrrole;2-tert-butyl-4-methylfuran;5-tert-butyl-2-methyl-1,3-oxazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-1-methylpyrrole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;1-tert-butylpyrazole;(5-tert-butylthiophen-2-yl)methanol;1-tert-butyl-1,2,4-triazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole (CID 159788923) is 5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;bis(5-tert-butyl-3-ethyl-1,2,4-oxadiazole);3-tert-butyl-1-ethylpyrrole;2-tert-butyl-4-methylfuran;5-tert-butyl-2-methyl-1,3-oxazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-1-methylpyrrole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;1-tert-butylpyrazole;(5-tert-butylthiophen-2-yl)methanol;1-tert-butyl-1,2,4-triazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole.
What is the SMILES notation for 5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;bis(5-tert-butyl-3-ethyl-1,2,4-oxadiazole);3-tert-butyl-1-ethylpyrrole;2-tert-butyl-4-methylfuran;5-tert-butyl-2-methyl-1,3-oxazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-1-methylpyrrole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;1-tert-butylpyrazole;(5-tert-butylthiophen-2-yl)methanol;1-tert-butyl-1,2,4-triazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole?
The canonical SMILES for 5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;bis(5-tert-butyl-3-ethyl-1,2,4-oxadiazole);3-tert-butyl-1-ethylpyrrole;2-tert-butyl-4-methylfuran;5-tert-butyl-2-methyl-1,3-oxazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-1-methylpyrrole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;1-tert-butylpyrazole;(5-tert-butylthiophen-2-yl)methanol;1-tert-butyl-1,2,4-triazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole is C.C.C.CC(C)(C)c1ccc(CO)s1.CC(C)(C)c1nc(C2CC2)no1.CC(C)(C)n1cccn1.CC(C)(C)n1cncn1.CC(C)c1cc(C2CC2)no1.CC(C)c1cc[nH]c1.CC(C)c1cnn(C)c1.CC(F)(F)Cn1cc(C(C)(C)C)cn1.CCc1noc(C(C)(C)C)n1.CCc1noc(C(C)(C)C)n1.CCn1ccc(C(C)(C)C)c1.Cc1ccn(C(C)(C)C)c1.Cc1cn(C)cc1C(C)C.Cc1coc(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)o1.Cc1ncc(C(C)(C)C)s1.Cn1cccc1C(C)(C)C.Cn1ncc(C(C)(C)C)n1.
What is the InChIKey of 5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;bis(5-tert-butyl-3-ethyl-1,2,4-oxadiazole);3-tert-butyl-1-ethylpyrrole;2-tert-butyl-4-methylfuran;5-tert-butyl-2-methyl-1,3-oxazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-1-methylpyrrole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;1-tert-butylpyrazole;(5-tert-butylthiophen-2-yl)methanol;1-tert-butyl-1,2,4-triazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole?
The InChIKey is NIHOZLJSZAGLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2.C10H17N.C9H14N2O.C9H13NO.3C9H15N.C9H14OS.C9H14O.2C8H14N2O.C8H13NO.C8H13NS.C7H13N3.2C7H12N2.C7H11N.C6H11N3.3CH4/c1-9(2,3)8-5-13-14(6-8)7-10(4,11)12;1-5-11-7-6-9(8-11)10(2,3)4;1-9(2,3)8-10-7(11-12-8)6-4-5-6;1-6(2)9-5-8(10-11-9)7-3-4-7;1-7(2)9-6-10(4)5-8(9)3;1-8-5-6-10(7-8)9(2,3)4;1-9(2,3)8-6-5-7-10(8)4;1-9(2,3)8-5-4-7(6-10)11-8;1-7-5-8(10-6-7)9(2,3)4;2*1-5-6-9-7(11-10-6)8(2,3)4;2*1-6-9-5-7(10-6)8(2,3)4;1-7(2,3)6-5-8-10(4)9-6;1-6(2)7-4-8-9(3)5-7;1-7(2,3)9-6-4-5-8-9;1-6(2)7-3-4-8-5-7;1-6(2,3)9-5-7-4-8-9;;;/h5-6H,7H2,1-4H3;6-8H,5H2,1-4H3;6H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3;3*5-7H,1-4H3;4-5,10H,6H2,1-3H3;5-6H,1-4H3;2*5H2,1-4H3;3*5H,1-4H3;2*4-6H,1-3H3;3-6,8H,1-2H3;4-5H,1-3H3;3*1H4.
What are the key properties of 5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;bis(5-tert-butyl-3-ethyl-1,2,4-oxadiazole);3-tert-butyl-1-ethylpyrrole;2-tert-butyl-4-methylfuran;5-tert-butyl-2-methyl-1,3-oxazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-1-methylpyrrole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;1-tert-butylpyrazole;(5-tert-butylthiophen-2-yl)methanol;1-tert-butyl-1,2,4-triazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole?
5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;bis(5-tert-butyl-3-ethyl-1,2,4-oxadiazole);3-tert-butyl-1-ethylpyrrole;2-tert-butyl-4-methylfuran;5-tert-butyl-2-methyl-1,3-oxazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-1-methylpyrrole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;1-tert-butylpyrazole;(5-tert-butylthiophen-2-yl)methanol;1-tert-butyl-1,2,4-triazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole has a molecular weight of 2664.04 g/mol, XLogP of 41.58, 12 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;bis(5-tert-butyl-3-ethyl-1,2,4-oxadiazole);3-tert-butyl-1-ethylpyrrole;2-tert-butyl-4-methylfuran;5-tert-butyl-2-methyl-1,3-oxazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-1-methylpyrrole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;1-tert-butylpyrazole;(5-tert-butylthiophen-2-yl)methanol;1-tert-butyl-1,2,4-triazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yl-1H-pyrrole is sourced from PubChem (CID 159788923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).