2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C13H11FN6O2 — CID 4793328

IUPAC2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)no1
InChIInChI=1S/C13H11FN6O2/c1-8-6-11(18-22-8)15-12(21)7-20-17-13(16-19-20)9-2-4-10(14)5-3-9/h2-6H,7H2,1H3,(H,15,18,21)
InChIKeyOTMWYOFEFZNQRD-UHFFFAOYSA-N
MW302.27 g/mol
LogP1.41
Rot. Bonds4

About 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 4793328) has the molecular formula C13H11FN6O2 and a molecular weight of 302.27 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID4793328
Molecular FormulaC13H11FN6O2
Molecular Weight302.27 g/mol
Exact Mass302.09
IUPAC Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)no1
InChIInChI=1S/C13H11FN6O2/c1-8-6-11(18-22-8)15-12(21)7-20-17-13(16-19-20)9-2-4-10(14)5-3-9/h2-6H,7H2,1H3,(H,15,18,21)
InChIKeyOTMWYOFEFZNQRD-UHFFFAOYSA-N
XLogP1.41
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 4793328) is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)no1.
What is the InChIKey of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is OTMWYOFEFZNQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN6O2/c1-8-6-11(18-22-8)15-12(21)7-20-17-13(16-19-20)9-2-4-10(14)5-3-9/h2-6H,7H2,1H3,(H,15,18,21).
What are the key properties of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 302.27 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 4793328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).