(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

C18H23N3O2S — CID 9406772

IUPAC(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C18H23N3O2S/c1-12-8-6-7-11-15(12)19-16(22)13(2)24-18-21-20-17(23-18)14-9-4-3-5-10-14/h3-5,9-10,12-13,15H,6-8,11H2,1-2H3,(H,19,22)/t12-,13+,15+/m0/s1
InChIKeyKCQPYGXFPJIGNU-GZBFAFLISA-N
MW345.47 g/mol
LogP3.91
Rot. Bonds5

About (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 9406772) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
PubChem CID9406772
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C18H23N3O2S/c1-12-8-6-7-11-15(12)19-16(22)13(2)24-18-21-20-17(23-18)14-9-4-3-5-10-14/h3-5,9-10,12-13,15H,6-8,11H2,1-2H3,(H,19,22)/t12-,13+,15+/m0/s1
InChIKeyKCQPYGXFPJIGNU-GZBFAFLISA-N
XLogP3.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-cyclopropyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 7459294
(2R)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 7683508
(2S)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 99845157
(2R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7633221
(2R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7633225
(2R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 11909705
(2S)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 129420773
(2S)-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 11917177
(2S)-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 11916493
(2R)-2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11945146
(2S)-N-carbamoyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 2638577
(2R)-N-cycloheptyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889642

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 9406772) is (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is C[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)N[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is KCQPYGXFPJIGNU-GZBFAFLISA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-8-6-7-11-15(12)19-16(22)13(2)24-18-21-20-17(23-18)14-9-4-3-5-10-14/h3-5,9-10,12-13,15H,6-8,11H2,1-2H3,(H,19,22)/t12-,13+,15+/m0/s1.
What are the key properties of (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 345.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 9406772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).