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

C18H21N5O2S — CID 9364426

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

(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 9364426) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

• Compound Name: (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
• PubChem CID: 9364426
• Molecular Formula: C18H21N5O2S
• Molecular Weight: 371.47 g/mol
• Exact Mass: 371.14
• IUPAC Name: (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
• SMILES: CC[C@H](C)n1nccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)o1
• InChI: InChI=1S/C18H21N5O2S/c1-4-12(2)23-15(10-11-19-23)20-16(24)13(3)26-18-22-21-17(25-18)14-8-6-5-7-9-14/h5-13H,4H2,1-3H3,(H,20,24)/t12-,13-/m0/s1
• InChIKey: FILZLWGXACDNGE-STQMWFEESA-N
• XLogP: 4.02
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.47
LogP ≤ 5	4.02
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-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?

The IUPAC name of (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 9364426) is (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-phenyl-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-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?

The canonical SMILES for (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is CC[C@H](C)n1nccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)o1.

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

The InChIKey is FILZLWGXACDNGE-STQMWFEESA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-4-12(2)23-15(10-11-19-23)20-16(24)13(3)26-18-22-21-17(25-18)14-8-6-5-7-9-14/h5-13H,4H2,1-3H3,(H,20,24)/t12-,13-/m0/s1.

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

(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 371.47 g/mol, XLogP of 4.02, 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-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 9364426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).