1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine

C140H252N26O5S3 — CID 157225736

IUPAC1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine
SMILESCC(C)C.CC(C)C.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCOCC1.CC(C)N1Cc2ccccc2C1=O.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)sn1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1ncn(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1
InChIInChI=1S/C11H13NO.C10H22N2.4C9H16N2.2C9H15NO.2C9H15NS.2C8H15N3.C8H14N2O.C8H14N2S.C7H15NO.2C4H10/c1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-11(6-10-9)8(3)4;2*1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;2*1-5(2)7-9-8(6(3)4)11-10-7;1-7(2)8-3-5-9-6-4-8;2*1-4(2)3/h3-6,8H,7H2,1-2H3;9-10H,5-8H2,1-4H3;4*5-8H,1-4H3;6*5-7H,1-4H3;2*5-6H,1-4H3;7H,3-6H2,1-2H3;2*4H,1-3H3
InChIKeyATNADAOYNFQPOZ-UHFFFAOYSA-N
MW2475.93 g/mol
LogP39.56
Rot. Bonds28

About 1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine

1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine (PubChem CID 157225736) has the molecular formula C140H252N26O5S3 and a molecular weight of 2475.93 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine.

Molecular Properties

Compound Name1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine
PubChem CID157225736
Molecular FormulaC140H252N26O5S3
Molecular Weight2475.93 g/mol
Exact Mass2473.94
IUPAC Name1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine
SMILESCC(C)C.CC(C)C.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCOCC1.CC(C)N1Cc2ccccc2C1=O.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)sn1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1ncn(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1
InChIInChI=1S/C11H13NO.C10H22N2.4C9H16N2.2C9H15NO.2C9H15NS.2C8H15N3.C8H14N2O.C8H14N2S.C7H15NO.2C4H10/c1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-11(6-10-9)8(3)4;2*1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;2*1-5(2)7-9-8(6(3)4)11-10-7;1-7(2)8-3-5-9-6-4-8;2*1-4(2)3/h3-6,8H,7H2,1-2H3;9-10H,5-8H2,1-4H3;4*5-8H,1-4H3;6*5-7H,1-4H3;2*5-6H,1-4H3;7H,3-6H2,1-2H3;2*4H,1-3H3
InChIKeyATNADAOYNFQPOZ-UHFFFAOYSA-N
XLogP39.56
TPSA314.50 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds28
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002475.93
LogP ≤ 539.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157298273
CID 157298273
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-(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
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1-ethyl-4-propan-2-yltriazole;2-fluoro-4-propan-2-ylpyridine;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-yltriazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole
CID 158159608
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
5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;bis(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;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;3-ethyl-5-propan-2-yl-1,2-oxazole;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;1-propan-2-ylpyrazole
CID 158711469
5-Tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine;5-propan-2-yl-1,3-oxazole
CID 158886857
5-Tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;3-tert-butyl-1,2-dimethylpyrrole;bis(5-tert-butyl-3-ethyl-1,2-oxazole);4-tert-butyl-1-ethyltriazole;4-tert-butyl-2-ethyltriazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;bis(3-(2,2-difluoropropyl)-5-propan-2-yl-1,2-oxazole);3,5-dimethyl-1-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene
CID 159318111
1-Benzyl-4-propan-2-ylpyrazole;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-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-ylthiophene;(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 159414944
1-Benzyl-4-propan-2-ylpyrazole;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;3-propan-2-ylpyridine
CID 159443558
5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;bis(3-tert-butyl-1-methylpyrazole);3-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3H-pyrazole;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;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-yl-4H-pyrazol-1-ium;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;1-propan-2-ylpyrazole
CID 159575313
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;5-tert-butyl-3-(trifluoromethyl)-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;4-methyl-1-propan-2-ylpyrazole;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;1-propan-2-yl-1,2,4-triazole
CID 160028832

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine?
The IUPAC name of 1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine (CID 157225736) is 1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine.
What is the SMILES notation for 1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine?
The canonical SMILES for 1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine is CC(C)C.CC(C)C.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCOCC1.CC(C)N1Cc2ccccc2C1=O.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)sn1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1ncn(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.
What is the InChIKey of 1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine?
The InChIKey is ATNADAOYNFQPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C10H22N2.4C9H16N2.2C9H15NO.2C9H15NS.2C8H15N3.C8H14N2O.C8H14N2S.C7H15NO.2C4H10/c1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-11(6-10-9)8(3)4;2*1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;2*1-5(2)7-9-8(6(3)4)11-10-7;1-7(2)8-3-5-9-6-4-8;2*1-4(2)3/h3-6,8H,7H2,1-2H3;9-10H,5-8H2,1-4H3;4*5-8H,1-4H3;6*5-7H,1-4H3;2*5-6H,1-4H3;7H,3-6H2,1-2H3;2*4H,1-3H3.
What are the key properties of 1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine?
1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine has a molecular weight of 2475.93 g/mol, XLogP of 39.56, 28 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;3,5-di(propan-2-yl)-1,2-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;bis(2-methylpropane);2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylmorpholine is sourced from PubChem (CID 157225736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).