4-[2-(2,5-dimethylthiophen-3-yl)cyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole

C21H21NOS — CID 132991995

IUPAC4-[2-(2,5-dimethylthiophen-3-yl)cyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole
SMILESCc1cc(C2=C(c3nc(-c4ccccc4)oc3C)CCC2)c(C)s1
InChIInChI=1S/C21H21NOS/c1-13-12-19(15(3)24-13)17-10-7-11-18(17)20-14(2)23-21(22-20)16-8-5-4-6-9-16/h4-6,8-9,12H,7,10-11H2,1-3H3
InChIKeyISGOXPFVODFYEQ-UHFFFAOYSA-N
MW335.47 g/mol
LogP6.42
Rot. Bonds3

About 4-[2-(2,5-dimethylthiophen-3-yl)cyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole

4-[2-(2,5-dimethylthiophen-3-yl)cyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole (PubChem CID 132991995) has the molecular formula C21H21NOS and a molecular weight of 335.47 g/mol. Its IUPAC name is 4-[2-(2,5-dimethylthiophen-3-yl)cyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[2-(2,5-dimethylthiophen-3-yl)cyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole
PubChem CID132991995
Molecular FormulaC21H21NOS
Molecular Weight335.47 g/mol
Exact Mass335.13
IUPAC Name4-[2-(2,5-dimethylthiophen-3-yl)cyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole
SMILESCc1cc(C2=C(c3nc(-c4ccccc4)oc3C)CCC2)c(C)s1
InChIInChI=1S/C21H21NOS/c1-13-12-19(15(3)24-13)17-10-7-11-18(17)20-14(2)23-21(22-20)16-8-5-4-6-9-16/h4-6,8-9,12H,7,10-11H2,1-3H3
InChIKeyISGOXPFVODFYEQ-UHFFFAOYSA-N
XLogP6.42
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.47
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(2,5-dimethylthiophen-3-yl)cyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole 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

4-(2,5-dimethylthiophen-3-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2H-furan-5-one
CID 155884566
5-methyl-4-naphthalen-1-yl-2-phenyl-1,3-oxazole
CID 42611623
3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2,5-diphenylcyclohex-2-en-1-one
CID 102368110
2-fluoro-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)aniline
CID 115049958
2-(2,5-diphenyl-1,3-oxazol-4-yl)-3-methylcyclohex-2-en-1-one
CID 162398173
5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole
CID 57465372
ethane;methanesulfonic acid;5-methyl-2-phenyl-1,3-oxazol-4-ol
CID 87970462
5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-phenyl-1,3-oxazole
CID 102458611
4-(1-benzylpyridin-1-ium-4-yl)-5-methyl-2-phenyl-1,3-oxazole
CID 11596633
2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-4-phenylphenol
CID 174428561
5-methyl-4-methylsulfanyl-2-phenyl-1,3-oxazole
CID 11694132
2-[4-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenyl]-4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole
CID 110194681

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dimethylthiophen-3-yl)cyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[2-(2,5-dimethylthiophen-3-yl)cyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole (CID 132991995) is 4-[2-(2,5-dimethylthiophen-3-yl)cyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[2-(2,5-dimethylthiophen-3-yl)cyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[2-(2,5-dimethylthiophen-3-yl)cyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole is Cc1cc(C2=C(c3nc(-c4ccccc4)oc3C)CCC2)c(C)s1.
What is the InChIKey of 4-[2-(2,5-dimethylthiophen-3-yl)cyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole?
The InChIKey is ISGOXPFVODFYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NOS/c1-13-12-19(15(3)24-13)17-10-7-11-18(17)20-14(2)23-21(22-20)16-8-5-4-6-9-16/h4-6,8-9,12H,7,10-11H2,1-3H3.
What are the key properties of 4-[2-(2,5-dimethylthiophen-3-yl)cyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole?
4-[2-(2,5-dimethylthiophen-3-yl)cyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole has a molecular weight of 335.47 g/mol, XLogP of 6.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dimethylthiophen-3-yl)cyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole is sourced from PubChem (CID 132991995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).