N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoro-N-[3-[1-(oxetan-3-yl)pyrazol-3-yl]phenyl]pent-4-enamide

C27H32FN5O3 — CID 166976908

About N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoro-N-[3-[1-(oxetan-3-yl)pyrazol-3-yl]phenyl]pent-4-enamide

N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoro-N-[3-[1-(oxetan-3-yl)pyrazol-3-yl]phenyl]pent-4-enamide (PubChem CID 166976908) has the molecular formula C27H32FN5O3 and a molecular weight of 493.58 g/mol. Its IUPAC name is N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoro-N-[3-[1-(oxetan-3-yl)pyrazol-3-yl]phenyl]pent-4-enamide.

Molecular Properties

• Compound Name: N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoro-N-[3-[1-(oxetan-3-yl)pyrazol-3-yl]phenyl]pent-4-enamide
• PubChem CID: 166976908
• Molecular Formula: C27H32FN5O3
• Molecular Weight: 493.58 g/mol
• Exact Mass: 493.25
• IUPAC Name: N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoro-N-[3-[1-(oxetan-3-yl)pyrazol-3-yl]phenyl]pent-4-enamide
• SMILES: C=C(F)CCC(=O)N(CCCCCc1nc(C2CC2)no1)c1cccc(-c2ccn(C3COC3)n2)c1
• InChI: InChI=1S/C27H32FN5O3/c1-19(28)9-12-26(34)32(14-4-2-3-8-25-29-27(31-36-25)20-10-11-20)22-7-5-6-21(16-22)24-13-15-33(30-24)23-17-35-18-23/h5-7,13,15-16,20,23H,1-4,8-12,14,17-18H2
• InChIKey: DNAKRDSTJQKFCU-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 86.28 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	5.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoro-N-[3-[1-(oxetan-3-yl)pyrazol-3-yl]phenyl]pent-4-enamide (CID 166976908) is N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoro-N-[3-[1-(oxetan-3-yl)pyrazol-3-yl]phenyl]pent-4-enamide.

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

The canonical SMILES for N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoro-N-[3-[1-(oxetan-3-yl)pyrazol-3-yl]phenyl]pent-4-enamide is C=C(F)CCC(=O)N(CCCCCc1nc(C2CC2)no1)c1cccc(-c2ccn(C3COC3)n2)c1.

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

The InChIKey is DNAKRDSTJQKFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O3/c1-19(28)9-12-26(34)32(14-4-2-3-8-25-29-27(31-36-25)20-10-11-20)22-7-5-6-21(16-22)24-13-15-33(30-24)23-17-35-18-23/h5-7,13,15-16,20,23H,1-4,8-12,14,17-18H2.

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

N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoro-N-[3-[1-(oxetan-3-yl)pyrazol-3-yl]phenyl]pent-4-enamide has a molecular weight of 493.58 g/mol, XLogP of 5.39, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoro-N-[3-[1-(oxetan-3-yl)pyrazol-3-yl]phenyl]pent-4-enamide is sourced from PubChem (CID 166976908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).