2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide

C17H28N2O2S — CID 71896980

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide
SMILESCc1nc(SC(C(=O)NC2CCCCC2C)C(C)C)oc1C
InChIInChI=1S/C17H28N2O2S/c1-10(2)15(22-17-18-12(4)13(5)21-17)16(20)19-14-9-7-6-8-11(14)3/h10-11,14-15H,6-9H2,1-5H3,(H,19,20)
InChIKeyDQRDZYSCMZZZDQ-UHFFFAOYSA-N
MW324.49 g/mol
LogP4.10
Rot. Bonds5

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide (PubChem CID 71896980) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide
PubChem CID71896980
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide
SMILESCc1nc(SC(C(=O)NC2CCCCC2C)C(C)C)oc1C
InChIInChI=1S/C17H28N2O2S/c1-10(2)15(22-17-18-12(4)13(5)21-17)16(20)19-14-9-7-6-8-11(14)3/h10-11,14-15H,6-9H2,1-5H3,(H,19,20)
InChIKeyDQRDZYSCMZZZDQ-UHFFFAOYSA-N
XLogP4.10
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide (CID 71896980) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide is Cc1nc(SC(C(=O)NC2CCCCC2C)C(C)C)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide?
The InChIKey is DQRDZYSCMZZZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-10(2)15(22-17-18-12(4)13(5)21-17)16(20)19-14-9-7-6-8-11(14)3/h10-11,14-15H,6-9H2,1-5H3,(H,19,20).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide has a molecular weight of 324.49 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide is sourced from PubChem (CID 71896980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).