1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(1,2,4-triazol-1-yl)butan-1-one

C15H13FN4O2 — CID 58128775

IUPAC1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
SMILESO=C(CCCn1cncn1)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C15H13FN4O2/c16-12-5-3-11(4-6-12)15-8-13(19-22-15)14(21)2-1-7-20-10-17-9-18-20/h3-6,8-10H,1-2,7H2
InChIKeyVCTJKJKVYJBNHE-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.74
Rot. Bonds6

About 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(1,2,4-triazol-1-yl)butan-1-one

1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(1,2,4-triazol-1-yl)butan-1-one (PubChem CID 58128775) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(1,2,4-triazol-1-yl)butan-1-one.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
PubChem CID58128775
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
SMILESO=C(CCCn1cncn1)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C15H13FN4O2/c16-12-5-3-11(4-6-12)15-8-13(19-22-15)14(21)2-1-7-20-10-17-9-18-20/h3-6,8-10H,1-2,7H2
InChIKeyVCTJKJKVYJBNHE-UHFFFAOYSA-N
XLogP2.74
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(1,2,4-triazol-1-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(1,2,4-triazol-1-yl)butan-1-one?
The IUPAC name of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(1,2,4-triazol-1-yl)butan-1-one (CID 58128775) is 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(1,2,4-triazol-1-yl)butan-1-one.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(1,2,4-triazol-1-yl)butan-1-one?
The canonical SMILES for 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(1,2,4-triazol-1-yl)butan-1-one is O=C(CCCn1cncn1)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(1,2,4-triazol-1-yl)butan-1-one?
The InChIKey is VCTJKJKVYJBNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c16-12-5-3-11(4-6-12)15-8-13(19-22-15)14(21)2-1-7-20-10-17-9-18-20/h3-6,8-10H,1-2,7H2.
What are the key properties of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(1,2,4-triazol-1-yl)butan-1-one?
1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(1,2,4-triazol-1-yl)butan-1-one has a molecular weight of 300.29 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-(1,2,4-triazol-1-yl)butan-1-one is sourced from PubChem (CID 58128775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).