5-phenyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide

C11H8N6O2 — CID 139676206

IUPAC5-phenyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C11H8N6O2/c18-10(12-11-13-16-17-14-11)8-6-9(19-15-8)7-4-2-1-3-5-7/h1-6H,(H2,12,13,14,16,17,18)
InChIKeyBZQBLOCWUNVJCI-UHFFFAOYSA-N
MW256.23 g/mol
LogP1.11
Rot. Bonds3

About 5-phenyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide

5-phenyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide (PubChem CID 139676206) has the molecular formula C11H8N6O2 and a molecular weight of 256.23 g/mol. Its IUPAC name is 5-phenyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide
PubChem CID139676206
Molecular FormulaC11H8N6O2
Molecular Weight256.23 g/mol
Exact Mass256.07
IUPAC Name5-phenyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C11H8N6O2/c18-10(12-11-13-16-17-14-11)8-6-9(19-15-8)7-4-2-1-3-5-7/h1-6H,(H2,12,13,14,16,17,18)
InChIKeyBZQBLOCWUNVJCI-UHFFFAOYSA-N
XLogP1.11
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide (CID 139676206) is 5-phenyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide is O=C(Nc1nn[nH]n1)c1cc(-c2ccccc2)on1.
What is the InChIKey of 5-phenyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is BZQBLOCWUNVJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6O2/c18-10(12-11-13-16-17-14-11)8-6-9(19-15-8)7-4-2-1-3-5-7/h1-6H,(H2,12,13,14,16,17,18).
What are the key properties of 5-phenyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide?
5-phenyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 256.23 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 139676206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).