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

C17H28N2O2S — CID 94147637

IUPAC(2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-[(1R,2S)-2-methylcyclohexyl]butanamide
SMILESCc1nc(S[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)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)/t11-,14+,15-/m0/s1
InChIKeyDQRDZYSCMZZZDQ-GLQYFDAESA-N
MW324.49 g/mol
LogP4.10
Rot. Bonds5

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

(2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-[(1R,2S)-2-methylcyclohexyl]butanamide (PubChem CID 94147637) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is (2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-[(1R,2S)-2-methylcyclohexyl]butanamide.

Molecular Properties

Compound Name(2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-[(1R,2S)-2-methylcyclohexyl]butanamide
PubChem CID94147637
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name(2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-[(1R,2S)-2-methylcyclohexyl]butanamide
SMILESCc1nc(S[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)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)/t11-,14+,15-/m0/s1
InChIKeyDQRDZYSCMZZZDQ-GLQYFDAESA-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 (2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-[(1R,2S)-2-methylcyclohexyl]butanamide with MolForge

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Related Compounds

2-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-N-(2-methylcyclohexyl)butanamide
CID 112815816
2-bromo-3-methyl-N-(2-methylcyclohexyl)butanamide
CID 24704184
(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 9406772
3-methyl-N-(2-methylcycloheptyl)-2-sulfanylbutanamide
CID 107031478
(2R)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 124730176
(2S)-N-[(1R,2S)-2-methylcyclohexyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 98309879
(2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 98605016
2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide
CID 7028594
2,3-dimethyl-4-[(2-methylcyclohexyl)amino]-4-oxobutanoic acid
CID 103496162
(2R)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 11913602
(2R)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 7683508
(2R)-N-(1-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 94147564

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-[(1R,2S)-2-methylcyclohexyl]butanamide?
The IUPAC name of (2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-[(1R,2S)-2-methylcyclohexyl]butanamide (CID 94147637) is (2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-[(1R,2S)-2-methylcyclohexyl]butanamide.
What is the SMILES notation for (2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-[(1R,2S)-2-methylcyclohexyl]butanamide?
The canonical SMILES for (2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-[(1R,2S)-2-methylcyclohexyl]butanamide is Cc1nc(S[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)C(C)C)oc1C.
What is the InChIKey of (2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-[(1R,2S)-2-methylcyclohexyl]butanamide?
The InChIKey is DQRDZYSCMZZZDQ-GLQYFDAESA-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)/t11-,14+,15-/m0/s1.
What are the key properties of (2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-[(1R,2S)-2-methylcyclohexyl]butanamide?
(2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-[(1R,2S)-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 (2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-[(1R,2S)-2-methylcyclohexyl]butanamide is sourced from PubChem (CID 94147637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).