N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-N-[5-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]pentyl]-2-methylidenebutanamide

C27H32FN5O3 — CID 166976867

About N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-N-[5-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]pentyl]-2-methylidenebutanamide

N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-N-[5-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]pentyl]-2-methylidenebutanamide (PubChem CID 166976867) has the molecular formula C27H32FN5O3 and a molecular weight of 493.58 g/mol. Its IUPAC name is N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-N-[5-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]pentyl]-2-methylidenebutanamide.

Molecular Properties

• Compound Name: N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-N-[5-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]pentyl]-2-methylidenebutanamide
• PubChem CID: 166976867
• Molecular Formula: C27H32FN5O3
• Molecular Weight: 493.58 g/mol
• Exact Mass: 493.25
• IUPAC Name: N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-N-[5-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]pentyl]-2-methylidenebutanamide
• SMILES: C=C(CCF)C(=O)N(CCCCCc1noc(C2(C)CC2)n1)c1cccc(-c2nnc(C3CC3)o2)c1
• InChI: InChI=1S/C27H32FN5O3/c1-18(12-15-28)25(34)33(16-5-3-4-9-22-29-26(36-32-22)27(2)13-14-27)21-8-6-7-20(17-21)24-31-30-23(35-24)19-10-11-19/h6-8,17,19H,1,3-5,9-16H2,2H3
• InChIKey: YAICACLODOWYEB-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 98.15 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.58
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-N-[5-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]pentyl]-2-methylidenebutanamide?

The IUPAC name of N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-N-[5-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]pentyl]-2-methylidenebutanamide (CID 166976867) is N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-N-[5-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]pentyl]-2-methylidenebutanamide.

What is the SMILES notation for N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-N-[5-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]pentyl]-2-methylidenebutanamide?

The canonical SMILES for N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-N-[5-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]pentyl]-2-methylidenebutanamide is C=C(CCF)C(=O)N(CCCCCc1noc(C2(C)CC2)n1)c1cccc(-c2nnc(C3CC3)o2)c1.

What is the InChIKey of N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-N-[5-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]pentyl]-2-methylidenebutanamide?

The InChIKey is YAICACLODOWYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O3/c1-18(12-15-28)25(34)33(16-5-3-4-9-22-29-26(36-32-22)27(2)13-14-27)21-8-6-7-20(17-21)24-31-30-23(35-24)19-10-11-19/h6-8,17,19H,1,3-5,9-16H2,2H3.

What are the key properties of N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-N-[5-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]pentyl]-2-methylidenebutanamide?

N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-N-[5-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]pentyl]-2-methylidenebutanamide has a molecular weight of 493.58 g/mol, XLogP of 5.71, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-N-[5-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]pentyl]-2-methylidenebutanamide is sourced from PubChem (CID 166976867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).