3-cyclopropyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide

C15H15FN4O3 — CID 16765759

IUPAC3-cyclopropyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCNC(=O)c1nc(C2CC2)no1)c1ccc(F)cc1
InChIInChI=1S/C15H15FN4O3/c16-11-5-3-10(4-6-11)13(21)17-7-8-18-14(22)15-19-12(20-23-15)9-1-2-9/h3-6,9H,1-2,7-8H2,(H,17,21)(H,18,22)
InChIKeyQADKTYGLGGSHCJ-UHFFFAOYSA-N
MW318.31 g/mol
LogP1.25
Rot. Bonds6

About 3-cyclopropyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide

3-cyclopropyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 16765759) has the molecular formula C15H15FN4O3 and a molecular weight of 318.31 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID16765759
Molecular FormulaC15H15FN4O3
Molecular Weight318.31 g/mol
Exact Mass318.11
IUPAC Name3-cyclopropyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCNC(=O)c1nc(C2CC2)no1)c1ccc(F)cc1
InChIInChI=1S/C15H15FN4O3/c16-11-5-3-10(4-6-11)13(21)17-7-8-18-14(22)15-19-12(20-23-15)9-1-2-9/h3-6,9H,1-2,7-8H2,(H,17,21)(H,18,22)
InChIKeyQADKTYGLGGSHCJ-UHFFFAOYSA-N
XLogP1.25
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide (CID 16765759) is 3-cyclopropyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide is O=C(NCCNC(=O)c1nc(C2CC2)no1)c1ccc(F)cc1.
What is the InChIKey of 3-cyclopropyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is QADKTYGLGGSHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O3/c16-11-5-3-10(4-6-11)13(21)17-7-8-18-14(22)15-19-12(20-23-15)9-1-2-9/h3-6,9H,1-2,7-8H2,(H,17,21)(H,18,22).
What are the key properties of 3-cyclopropyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
3-cyclopropyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 318.31 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 16765759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).