(2R)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide

C19H26N4O2S — CID 52514569

About (2R)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide

(2R)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 52514569) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is (2R)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

• Compound Name: (2R)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
• PubChem CID: 52514569
• Molecular Formula: C19H26N4O2S
• Molecular Weight: 374.51 g/mol
• Exact Mass: 374.18
• IUPAC Name: (2R)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
• SMILES: CC(C)[C@@H](Sc1nnc(C2CCCCC2)o1)C(=O)NCc1cccnc1
• InChI: InChI=1S/C19H26N4O2S/c1-13(2)16(17(24)21-12-14-7-6-10-20-11-14)26-19-23-22-18(25-19)15-8-4-3-5-9-15/h6-7,10-11,13,15-16H,3-5,8-9,12H2,1-2H3,(H,21,24)/t16-/m1/s1
• InChIKey: GVWDWYOAHITKCY-MRXNPFEDSA-N
• XLogP: 3.95
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.51
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide?

The IUPAC name of (2R)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide (CID 52514569) is (2R)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide.

What is the SMILES notation for (2R)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide?

The canonical SMILES for (2R)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide is CC(C)[C@@H](Sc1nnc(C2CCCCC2)o1)C(=O)NCc1cccnc1.

What is the InChIKey of (2R)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide?

The InChIKey is GVWDWYOAHITKCY-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-13(2)16(17(24)21-12-14-7-6-10-20-11-14)26-19-23-22-18(25-19)15-8-4-3-5-9-15/h6-7,10-11,13,15-16H,3-5,8-9,12H2,1-2H3,(H,21,24)/t16-/m1/s1.

What are the key properties of (2R)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide?

(2R)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 374.51 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 52514569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).