(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C19H23N5O2S — CID 7815912

About (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 7815912) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

• Compound Name: (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
• PubChem CID: 7815912
• Molecular Formula: C19H23N5O2S
• Molecular Weight: 385.49 g/mol
• Exact Mass: 385.16
• IUPAC Name: (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
• SMILES: CC[C@H](C)n1nccc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(C)cc2)o1
• InChI: InChI=1S/C19H23N5O2S/c1-5-13(3)24-16(10-11-20-24)21-17(25)14(4)27-19-23-22-18(26-19)15-8-6-12(2)7-9-15/h6-11,13-14H,5H2,1-4H3,(H,21,25)/t13-,14-/m0/s1
• InChIKey: CLHONJZGJSWGPR-KBPBESRZSA-N
• XLogP: 4.33
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.49
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?

The IUPAC name of (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 7815912) is (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

What is the SMILES notation for (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?

The canonical SMILES for (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is CC[C@H](C)n1nccc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(C)cc2)o1.

What is the InChIKey of (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?

The InChIKey is CLHONJZGJSWGPR-KBPBESRZSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-5-13(3)24-16(10-11-20-24)21-17(25)14(4)27-19-23-22-18(26-19)15-8-6-12(2)7-9-15/h6-11,13-14H,5H2,1-4H3,(H,21,25)/t13-,14-/m0/s1.

What are the key properties of (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?

(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 385.49 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 7815912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).