N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide

C19H16BrN5O3 — CID 36816873

About N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide

N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 36816873) has the molecular formula C19H16BrN5O3 and a molecular weight of 442.27 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
• PubChem CID: 36816873
• Molecular Formula: C19H16BrN5O3
• Molecular Weight: 442.27 g/mol
• Exact Mass: 441.04
• IUPAC Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
• SMILES: O=C(CCc1nc(-c2ccco2)no1)Nc1ccnn1Cc1ccc(Br)cc1
• InChI: InChI=1S/C19H16BrN5O3/c20-14-5-3-13(4-6-14)12-25-16(9-10-21-25)22-17(26)7-8-18-23-19(24-28-18)15-2-1-11-27-15/h1-6,9-11H,7-8,12H2,(H,22,26)
• InChIKey: JJMVYOOVRCQBJO-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 98.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.27
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?

The IUPAC name of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide (CID 36816873) is N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide.

What is the SMILES notation for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?

The canonical SMILES for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide is O=C(CCc1nc(-c2ccco2)no1)Nc1ccnn1Cc1ccc(Br)cc1.

What is the InChIKey of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?

The InChIKey is JJMVYOOVRCQBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN5O3/c20-14-5-3-13(4-6-14)12-25-16(9-10-21-25)22-17(26)7-8-18-23-19(24-28-18)15-2-1-11-27-15/h1-6,9-11H,7-8,12H2,(H,22,26).

What are the key properties of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?

N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 442.27 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 36816873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).