3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylthiophene

C73H116N10O3S2 — CID 159015285

IUPAC3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylthiophene
SMILESCC(C)C1=CCC=C1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cnn(C)c1.CC(C)c1ncnn1C.CC1=C(C(C)C)N=CC1.Cc1cc(C(C)C)on1.Cc1cnc(C(C)C)s1.Cc1noc(C)c1C(C)C
InChIInChI=1S/C8H13NO.2C8H13N.C8H12.C7H12N2.C7H11NO.C7H11NS.C7H10O.C7H10S.C6H11N3/c1-5(2)8-6(3)9-10-7(8)4;1-7(2)8-5-4-6-9(8)3;1-6(2)8-7(3)4-5-9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-8-9(3)5-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-8-4-6(3)9-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-7-4-8-9(6)3/h5H,1-4H3;4-7H,1-3H3;5-6H,4H2,1-3H3;3,5-7H,4H2,1-2H3;4-6H,1-3H3;2*4-5H,1-3H3;2*3-6H,1-2H3;4-5H,1-3H3
InChIKeyJSZWHORKWHYHAV-UHFFFAOYSA-N
MW1245.93 g/mol
LogP21.92
Rot. Bonds10

About 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylthiophene

3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylthiophene (PubChem CID 159015285) has the molecular formula C73H116N10O3S2 and a molecular weight of 1245.93 g/mol. Its IUPAC name is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylthiophene.

Molecular Properties

Compound Name3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylthiophene
PubChem CID159015285
Molecular FormulaC73H116N10O3S2
Molecular Weight1245.93 g/mol
Exact Mass1244.87
IUPAC Name3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylthiophene
SMILESCC(C)C1=CCC=C1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cnn(C)c1.CC(C)c1ncnn1C.CC1=C(C(C)C)N=CC1.Cc1cc(C(C)C)on1.Cc1cnc(C(C)C)s1.Cc1noc(C)c1C(C)C
InChIInChI=1S/C8H13NO.2C8H13N.C8H12.C7H12N2.C7H11NO.C7H11NS.C7H10O.C7H10S.C6H11N3/c1-5(2)8-6(3)9-10-7(8)4;1-7(2)8-5-4-6-9(8)3;1-6(2)8-7(3)4-5-9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-8-9(3)5-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-8-4-6(3)9-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-7-4-8-9(6)3/h5H,1-4H3;4-7H,1-3H3;5-6H,4H2,1-3H3;3,5-7H,4H2,1-2H3;4-6H,1-3H3;2*4-5H,1-3H3;2*3-6H,1-2H3;4-5H,1-3H3
InChIKeyJSZWHORKWHYHAV-UHFFFAOYSA-N
XLogP21.92
TPSA143.91 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001245.93
LogP ≤ 521.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylthiophene 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

1-(2,2-Difluoropropyl)-4-methylpyrazole;2,3-dimethylfuran;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-one;1-ethyl-4-methylpyrazole;2,4,5-trimethyl-1,3-thiazole
CID 157177074
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
2-chloro-5-methylthiophene;2,5-dimethylfuran;bis(1,4-dimethylimidazole);1,5-dimethylimidazole;1,4-dimethylpyrazole;2,4-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethyl-2-(trifluoromethyl)furan;1-ethyl-4-methylpyrazole;2-ethynyl-5-methylthiophene;1-hydroxy-4-methylpyrazole;2-methylfuran;3-methyl-4H-pyrazole;2-methyl-1,3,4-thiadiazole;2-methylthiophene;5-methyl-1H-1,2,4-triazole;2,3,5-trimethylfuran;1,2,4-trimethylimidazole;1,2,5-trimethylimidazole;3,4,5-trimethyl-1,2-oxazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;2,3,4-trimethylthiophene
CID 157804731
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
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
2-chloro-5-methylthiophene;bis(1,4-dimethylimidazole);1,5-dimethylimidazole;1,4-dimethylpyrazole;2,4-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethyl-2-(trifluoromethyl)furan;1-ethyl-4-methylpyrazole;2-ethynyl-5-methylthiophene;1-hydroxy-4-methylpyrazole;2-methylfuran;3-methyl-4H-pyrazole;2-methyl-1,3,4-thiadiazole;2-methylthiophene;5-methyl-1H-1,2,4-triazole;2,3,5-trimethylfuran;1,2,4-trimethylimidazole;1,2,5-trimethylimidazole;3,4,5-trimethyl-1,2-oxazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;2,3,4-trimethylthiophene
CID 158229955
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-cyclopropyl-1,2-oxazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2,4-oxadiazole;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;4-tert-butyl-1-methylpyrazole;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;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole
CID 160597702
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-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;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;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;methane;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 161268836
1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;3,4,5-trimethyl-1,2-oxazole
CID 157212422
bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-4H-imidazole;5-tert-butyl-1,2-oxazole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);3-tert-butylthiophene
CID 157234721
Ethane;2-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;1-methyl-1,2,4-triazole
CID 157271870

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylthiophene?
The IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylthiophene (CID 159015285) is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylthiophene.
What is the SMILES notation for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylthiophene?
The canonical SMILES for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylthiophene is CC(C)C1=CCC=C1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cnn(C)c1.CC(C)c1ncnn1C.CC1=C(C(C)C)N=CC1.Cc1cc(C(C)C)on1.Cc1cnc(C(C)C)s1.Cc1noc(C)c1C(C)C.
What is the InChIKey of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylthiophene?
The InChIKey is JSZWHORKWHYHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.2C8H13N.C8H12.C7H12N2.C7H11NO.C7H11NS.C7H10O.C7H10S.C6H11N3/c1-5(2)8-6(3)9-10-7(8)4;1-7(2)8-5-4-6-9(8)3;1-6(2)8-7(3)4-5-9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-8-9(3)5-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-8-4-6(3)9-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-7-4-8-9(6)3/h5H,1-4H3;4-7H,1-3H3;5-6H,4H2,1-3H3;3,5-7H,4H2,1-2H3;4-6H,1-3H3;2*4-5H,1-3H3;2*3-6H,1-2H3;4-5H,1-3H3.
What are the key properties of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylthiophene?
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylthiophene has a molecular weight of 1245.93 g/mol, XLogP of 21.92, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylthiophene is sourced from PubChem (CID 159015285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).