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

C13H11FN6O2 — CID 25166919

IUPAC5-(4-fluorophenyl)-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCn1ncnn1)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C13H11FN6O2/c14-10-3-1-9(2-4-10)12-7-11(18-22-12)13(21)15-5-6-20-17-8-16-19-20/h1-4,7-8H,5-6H2,(H,15,21)
InChIKeyJTFCPBWQGAPSGO-UHFFFAOYSA-N
MW302.27 g/mol
LogP0.90
Rot. Bonds5

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

5-(4-fluorophenyl)-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 25166919) has the molecular formula C13H11FN6O2 and a molecular weight of 302.27 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID25166919
Molecular FormulaC13H11FN6O2
Molecular Weight302.27 g/mol
Exact Mass302.09
IUPAC Name5-(4-fluorophenyl)-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCn1ncnn1)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C13H11FN6O2/c14-10-3-1-9(2-4-10)12-7-11(18-22-12)13(21)15-5-6-20-17-8-16-19-20/h1-4,7-8H,5-6H2,(H,15,21)
InChIKeyJTFCPBWQGAPSGO-UHFFFAOYSA-N
XLogP0.90
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.27
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 25166919) is 5-(4-fluorophenyl)-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is O=C(NCCn1ncnn1)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is JTFCPBWQGAPSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN6O2/c14-10-3-1-9(2-4-10)12-7-11(18-22-12)13(21)15-5-6-20-17-8-16-19-20/h1-4,7-8H,5-6H2,(H,15,21).
What are the key properties of 5-(4-fluorophenyl)-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-(4-fluorophenyl)-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 302.27 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[2-(tetrazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25166919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).