N-(2-methylcyclohexyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide

C25H28N2O2S — CID 20916814

IUPACN-(2-methylcyclohexyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide
SMILESCc1oc(-c2ccc(C(=O)NC3CCCCC3C)cc2)nc1CSc1ccccc1
InChIInChI=1S/C25H28N2O2S/c1-17-8-6-7-11-22(17)26-24(28)19-12-14-20(15-13-19)25-27-23(18(2)29-25)16-30-21-9-4-3-5-10-21/h3-5,9-10,12-15,17,22H,6-8,11,16H2,1-2H3,(H,26,28)
InChIKeyGPTMRTUXMIMGSY-UHFFFAOYSA-N
MW420.58 g/mol
LogP6.25
Rot. Bonds6

About N-(2-methylcyclohexyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide

N-(2-methylcyclohexyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 20916814) has the molecular formula C25H28N2O2S and a molecular weight of 420.58 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide
PubChem CID20916814
Molecular FormulaC25H28N2O2S
Molecular Weight420.58 g/mol
Exact Mass420.19
IUPAC NameN-(2-methylcyclohexyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide
SMILESCc1oc(-c2ccc(C(=O)NC3CCCCC3C)cc2)nc1CSc1ccccc1
InChIInChI=1S/C25H28N2O2S/c1-17-8-6-7-11-22(17)26-24(28)19-12-14-20(15-13-19)25-27-23(18(2)29-25)16-30-21-9-4-3-5-10-21/h3-5,9-10,12-15,17,22H,6-8,11,16H2,1-2H3,(H,26,28)
InChIKeyGPTMRTUXMIMGSY-UHFFFAOYSA-N
XLogP6.25
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.58
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methylcyclohexyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide 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-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 20916740
N-butyl-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide
CID 20916826
N-butan-2-yl-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide
CID 20916786
N-[2-(azepan-1-yl)ethyl]-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide
CID 20916829
N-(4-ethoxyphenyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide
CID 46277718
N-[(2-ethoxyphenyl)methyl]-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide
CID 20916833
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
[4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 20916852
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
4-[4-[(4-ethylphenyl)sulfanylmethyl]-5-methyl-1,3-oxazol-2-yl]benzoic acid
CID 53213346
N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9084335
N-(4-chlorophenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide
CID 46277666

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-(2-methylcyclohexyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide (CID 20916814) is N-(2-methylcyclohexyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-(2-methylcyclohexyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide is Cc1oc(-c2ccc(C(=O)NC3CCCCC3C)cc2)nc1CSc1ccccc1.
What is the InChIKey of N-(2-methylcyclohexyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is GPTMRTUXMIMGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2S/c1-17-8-6-7-11-22(17)26-24(28)19-12-14-20(15-13-19)25-27-23(18(2)29-25)16-30-21-9-4-3-5-10-21/h3-5,9-10,12-15,17,22H,6-8,11,16H2,1-2H3,(H,26,28).
What are the key properties of N-(2-methylcyclohexyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide?
N-(2-methylcyclohexyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 420.58 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 20916814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).