N-[3-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide

C27H25N5O4 — CID 53064623

About N-[3-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide

N-[3-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide (PubChem CID 53064623) has the molecular formula C27H25N5O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is N-[3-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide
• PubChem CID: 53064623
• Molecular Formula: C27H25N5O4
• Molecular Weight: 483.53 g/mol
• Exact Mass: 483.19
• IUPAC Name: N-[3-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide
• SMILES: O=C(Nc1cccc(C(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)c1)c1ccco1
• InChI: InChI=1S/C27H25N5O4/c33-25(23-5-2-16-35-23)28-21-4-1-3-20(17-21)27(34)32-14-12-31(13-15-32)22-10-8-18(9-11-22)24-29-26(36-30-24)19-6-7-19/h1-5,8-11,16-17,19H,6-7,12-15H2,(H,28,33)
• InChIKey: BMESIQHCJGUMCC-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 104.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.53
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide?

The IUPAC name of N-[3-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide (CID 53064623) is N-[3-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide.

What is the SMILES notation for N-[3-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide?

The canonical SMILES for N-[3-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide is O=C(Nc1cccc(C(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)c1)c1ccco1.

What is the InChIKey of N-[3-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide?

The InChIKey is BMESIQHCJGUMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4/c33-25(23-5-2-16-35-23)28-21-4-1-3-20(17-21)27(34)32-14-12-31(13-15-32)22-10-8-18(9-11-22)24-29-26(36-30-24)19-6-7-19/h1-5,8-11,16-17,19H,6-7,12-15H2,(H,28,33).

What are the key properties of N-[3-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide?

N-[3-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 53064623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).