2,3-dimethylpyridine;ethane;1,2,3,4,5-pentamethylpyrazolidine;2,3,4,4-tetramethylcyclopent-2-en-1-one;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole

C57H95N9O3S2 — CID 157408937

IUPAC2,3-dimethylpyridine;ethane;1,2,3,4,5-pentamethylpyrazolidine;2,3,4,4-tetramethylcyclopent-2-en-1-one;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole
SMILESCC.CC1=C(C)C(C)(C)CC1=O.CC1C(C)N(C)N(C)C1C.Cc1cccnc1C.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nn(C)c(C)c1C.Cc1noc(C)c1C.Cc1nsc(C)c1C
InChIInChI=1S/C9H14O.C8H18N2.C7H12N2.C7H9N.2C6H9NO.2C6H9NS.C2H6/c1-6-7(2)9(3,4)5-8(6)10;1-6-7(2)9(4)10(5)8(6)3;1-5-6(2)8-9(4)7(5)3;1-6-4-3-5-8-7(6)2;1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3;1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3;1-2/h5H2,1-4H3;6-8H,1-5H3;1-4H3;3-5H,1-2H3;4*1-3H3;1-2H3
InChIKeyBOBACWQIDBTWPE-UHFFFAOYSA-N
MW1018.58 g/mol
LogP14.92
Rot. Bonds

About 2,3-dimethylpyridine;ethane;1,2,3,4,5-pentamethylpyrazolidine;2,3,4,4-tetramethylcyclopent-2-en-1-one;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole

2,3-dimethylpyridine;ethane;1,2,3,4,5-pentamethylpyrazolidine;2,3,4,4-tetramethylcyclopent-2-en-1-one;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole (PubChem CID 157408937) has the molecular formula C57H95N9O3S2 and a molecular weight of 1018.58 g/mol. Its IUPAC name is 2,3-dimethylpyridine;ethane;1,2,3,4,5-pentamethylpyrazolidine;2,3,4,4-tetramethylcyclopent-2-en-1-one;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole.

Molecular Properties

Compound Name2,3-dimethylpyridine;ethane;1,2,3,4,5-pentamethylpyrazolidine;2,3,4,4-tetramethylcyclopent-2-en-1-one;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole
PubChem CID157408937
Molecular FormulaC57H95N9O3S2
Molecular Weight1018.58 g/mol
Exact Mass1017.70
IUPAC Name2,3-dimethylpyridine;ethane;1,2,3,4,5-pentamethylpyrazolidine;2,3,4,4-tetramethylcyclopent-2-en-1-one;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole
SMILESCC.CC1=C(C)C(C)(C)CC1=O.CC1C(C)N(C)N(C)C1C.Cc1cccnc1C.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nn(C)c(C)c1C.Cc1noc(C)c1C.Cc1nsc(C)c1C
InChIInChI=1S/C9H14O.C8H18N2.C7H12N2.C7H9N.2C6H9NO.2C6H9NS.C2H6/c1-6-7(2)9(3,4)5-8(6)10;1-6-7(2)9(4)10(5)8(6)3;1-5-6(2)8-9(4)7(5)3;1-6-4-3-5-8-7(6)2;1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3;1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3;1-2/h5H2,1-4H3;6-8H,1-5H3;1-4H3;3-5H,1-2H3;4*1-3H3;1-2H3
InChIKeyBOBACWQIDBTWPE-UHFFFAOYSA-N
XLogP14.92
TPSA132.10 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001018.58
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2,3-dimethylpyridine;ethane;1,2,3,4,5-pentamethylpyrazolidine;2,3,4,4-tetramethylcyclopent-2-en-1-one;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole 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

2-(Difluoromethyl)-4-propan-2-yl-1,3-oxazole;2-(difluoromethyl)-5-propan-2-yl-1,3-oxazole;4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;bis(1-methyl-3-propan-2-ylpyrazole);1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole;5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
CID 165090022
5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-2-ethenyl-3H-pyrrole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
CID 157096219
5,5-Dimethyl-3,4-di(propan-2-yl)furan-2-one;3,4-dimethyl-1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-3,4-di(propan-2-yl)-1,2-thiazole;3,4,5-trimethyl-1,2-di(propan-2-yl)pyrazolidine
CID 157213407
4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-2-ethynyl-1,3-oxazole;5-tert-butyl-3-ethynyl-1,2-oxazole;1-tert-butyl-3-ethynylpyrazole;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-2H-pyrrol-5-one
CID 157389858
4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-2-ethenyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
CID 157475108
5-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenyl-4H-imidazol-1-ium;1-tert-butyl-3-ethenylpyrazole;5-tert-butyl-2-ethynyl-1,3-oxazole;5-tert-butyl-3-ethynyl-1,2-oxazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole
CID 157527895
4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole
CID 157641619
4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
CID 157684066
5-Tert-butylcyclohex-2-en-1-one;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-2-ethynyl-1,3-oxazole;5-tert-butyl-3-ethynyl-1,2-oxazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole
CID 157740891
Ethane;2-methyloxepine;2-methylpyridine;toluene;2,4,5-trimethyl-1,3-oxazole;tris(3,4,5-trimethyl-1,2-oxazole);tris(2,4,5-trimethyl-1,3-thiazole)
CID 157888374
Bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene
CID 158034974
3,4-Dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-thiazole;3,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);2-methylthiophene-3-carbaldehyde;1,3,4,5-tetramethylpyrazole;3,4,5-trimethyl-1,2-thiazole
CID 158113386

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpyridine;ethane;1,2,3,4,5-pentamethylpyrazolidine;2,3,4,4-tetramethylcyclopent-2-en-1-one;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole?
The IUPAC name of 2,3-dimethylpyridine;ethane;1,2,3,4,5-pentamethylpyrazolidine;2,3,4,4-tetramethylcyclopent-2-en-1-one;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole (CID 157408937) is 2,3-dimethylpyridine;ethane;1,2,3,4,5-pentamethylpyrazolidine;2,3,4,4-tetramethylcyclopent-2-en-1-one;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole.
What is the SMILES notation for 2,3-dimethylpyridine;ethane;1,2,3,4,5-pentamethylpyrazolidine;2,3,4,4-tetramethylcyclopent-2-en-1-one;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole?
The canonical SMILES for 2,3-dimethylpyridine;ethane;1,2,3,4,5-pentamethylpyrazolidine;2,3,4,4-tetramethylcyclopent-2-en-1-one;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole is CC.CC1=C(C)C(C)(C)CC1=O.CC1C(C)N(C)N(C)C1C.Cc1cccnc1C.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nn(C)c(C)c1C.Cc1noc(C)c1C.Cc1nsc(C)c1C.
What is the InChIKey of 2,3-dimethylpyridine;ethane;1,2,3,4,5-pentamethylpyrazolidine;2,3,4,4-tetramethylcyclopent-2-en-1-one;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole?
The InChIKey is BOBACWQIDBTWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O.C8H18N2.C7H12N2.C7H9N.2C6H9NO.2C6H9NS.C2H6/c1-6-7(2)9(3,4)5-8(6)10;1-6-7(2)9(4)10(5)8(6)3;1-5-6(2)8-9(4)7(5)3;1-6-4-3-5-8-7(6)2;1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3;1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3;1-2/h5H2,1-4H3;6-8H,1-5H3;1-4H3;3-5H,1-2H3;4*1-3H3;1-2H3.
What are the key properties of 2,3-dimethylpyridine;ethane;1,2,3,4,5-pentamethylpyrazolidine;2,3,4,4-tetramethylcyclopent-2-en-1-one;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole?
2,3-dimethylpyridine;ethane;1,2,3,4,5-pentamethylpyrazolidine;2,3,4,4-tetramethylcyclopent-2-en-1-one;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole has a molecular weight of 1018.58 g/mol, XLogP of 14.92, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpyridine;ethane;1,2,3,4,5-pentamethylpyrazolidine;2,3,4,4-tetramethylcyclopent-2-en-1-one;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole is sourced from PubChem (CID 157408937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).