5-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide

C14H12FN5O2 — CID 25166916

IUPAC5-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCn1cncn1)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C14H12FN5O2/c15-11-3-1-10(2-4-11)13-7-12(19-22-13)14(21)17-5-6-20-9-16-8-18-20/h1-4,7-9H,5-6H2,(H,17,21)
InChIKeyMSRDEURPAUHWLV-UHFFFAOYSA-N
MW301.28 g/mol
LogP1.50
Rot. Bonds5

About 5-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide

5-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 25166916) has the molecular formula C14H12FN5O2 and a molecular weight of 301.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID25166916
Molecular FormulaC14H12FN5O2
Molecular Weight301.28 g/mol
Exact Mass301.10
IUPAC Name5-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCn1cncn1)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C14H12FN5O2/c15-11-3-1-10(2-4-11)13-7-12(19-22-13)14(21)17-5-6-20-9-16-8-18-20/h1-4,7-9H,5-6H2,(H,17,21)
InChIKeyMSRDEURPAUHWLV-UHFFFAOYSA-N
XLogP1.50
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 25166916) is 5-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide is O=C(NCCn1cncn1)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MSRDEURPAUHWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O2/c15-11-3-1-10(2-4-11)13-7-12(19-22-13)14(21)17-5-6-20-9-16-8-18-20/h1-4,7-9H,5-6H2,(H,17,21).
What are the key properties of 5-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 301.28 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25166916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).