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

C16H15FN4O2 — CID 58128753

IUPAC1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-(1,2,4-triazol-1-yl)pentan-1-one
SMILESO=C(CCCCn1cncn1)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C16H15FN4O2/c17-13-6-4-12(5-7-13)16-9-14(20-23-16)15(22)3-1-2-8-21-11-18-10-19-21/h4-7,9-11H,1-3,8H2
InChIKeyHHNMJDBOJOGYPO-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.13
Rot. Bonds7

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

1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-(1,2,4-triazol-1-yl)pentan-1-one (PubChem CID 58128753) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-(1,2,4-triazol-1-yl)pentan-1-one.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-(1,2,4-triazol-1-yl)pentan-1-one
PubChem CID58128753
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-(1,2,4-triazol-1-yl)pentan-1-one
SMILESO=C(CCCCn1cncn1)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C16H15FN4O2/c17-13-6-4-12(5-7-13)16-9-14(20-23-16)15(22)3-1-2-8-21-11-18-10-19-21/h4-7,9-11H,1-3,8H2
InChIKeyHHNMJDBOJOGYPO-UHFFFAOYSA-N
XLogP3.13
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-(1,2,4-triazol-1-yl)pentan-1-one?
The IUPAC name of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-(1,2,4-triazol-1-yl)pentan-1-one (CID 58128753) is 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-(1,2,4-triazol-1-yl)pentan-1-one.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-(1,2,4-triazol-1-yl)pentan-1-one?
The canonical SMILES for 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-(1,2,4-triazol-1-yl)pentan-1-one is O=C(CCCCn1cncn1)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-(1,2,4-triazol-1-yl)pentan-1-one?
The InChIKey is HHNMJDBOJOGYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c17-13-6-4-12(5-7-13)16-9-14(20-23-16)15(22)3-1-2-8-21-11-18-10-19-21/h4-7,9-11H,1-3,8H2.
What are the key properties of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-(1,2,4-triazol-1-yl)pentan-1-one?
1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-(1,2,4-triazol-1-yl)pentan-1-one has a molecular weight of 314.32 g/mol, XLogP of 3.13, 7 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]-5-(1,2,4-triazol-1-yl)pentan-1-one is sourced from PubChem (CID 58128753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).