N-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoropent-4-enamide

C27H34FN5O3 — CID 166976934

About N-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoropent-4-enamide

N-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoropent-4-enamide (PubChem CID 166976934) has the molecular formula C27H34FN5O3 and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoropent-4-enamide.

Molecular Properties

• Compound Name: N-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoropent-4-enamide
• PubChem CID: 166976934
• Molecular Formula: C27H34FN5O3
• Molecular Weight: 495.60 g/mol
• Exact Mass: 495.26
• IUPAC Name: N-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoropent-4-enamide
• SMILES: C=C(F)CCC(=O)N(CCCCCc1nc(C(C)(C)C)no1)c1cccc(-c2nnc(C3CC3)o2)c1
• InChI: InChI=1S/C27H34FN5O3/c1-18(28)12-15-23(34)33(16-7-5-6-11-22-29-26(32-36-22)27(2,3)4)21-10-8-9-20(17-21)25-31-30-24(35-25)19-13-14-19/h8-10,17,19H,1,5-7,11-16H2,2-4H3
• InChIKey: UGOOTQKGPJBADT-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 98.15 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.60
LogP ≤ 5	6.30
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-tert-butyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoropent-4-enamide?

The IUPAC name of N-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoropent-4-enamide (CID 166976934) is N-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoropent-4-enamide.

What is the SMILES notation for N-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoropent-4-enamide?

The canonical SMILES for N-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoropent-4-enamide is C=C(F)CCC(=O)N(CCCCCc1nc(C(C)(C)C)no1)c1cccc(-c2nnc(C3CC3)o2)c1.

What is the InChIKey of N-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoropent-4-enamide?

The InChIKey is UGOOTQKGPJBADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN5O3/c1-18(28)12-15-23(34)33(16-7-5-6-11-22-29-26(32-36-22)27(2,3)4)21-10-8-9-20(17-21)25-31-30-24(35-25)19-13-14-19/h8-10,17,19H,1,5-7,11-16H2,2-4H3.

What are the key properties of N-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoropent-4-enamide?

N-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoropent-4-enamide has a molecular weight of 495.60 g/mol, XLogP of 6.30, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoropent-4-enamide is sourced from PubChem (CID 166976934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).