5-(4-methylphenyl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide

C12H10N6O2 — CID 139676219

IUPAC5-(4-methylphenyl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3nn[nH]n3)no2)cc1
InChIInChI=1S/C12H10N6O2/c1-7-2-4-8(5-3-7)10-6-9(16-20-10)11(19)13-12-14-17-18-15-12/h2-6H,1H3,(H2,13,14,15,17,18,19)
InChIKeyXZXVMELIXASZSX-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.42
Rot. Bonds3

About 5-(4-methylphenyl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide

5-(4-methylphenyl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide (PubChem CID 139676219) has the molecular formula C12H10N6O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide
PubChem CID139676219
Molecular FormulaC12H10N6O2
Molecular Weight270.25 g/mol
Exact Mass270.09
IUPAC Name5-(4-methylphenyl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3nn[nH]n3)no2)cc1
InChIInChI=1S/C12H10N6O2/c1-7-2-4-8(5-3-7)10-6-9(16-20-10)11(19)13-12-14-17-18-15-12/h2-6H,1H3,(H2,13,14,15,17,18,19)
InChIKeyXZXVMELIXASZSX-UHFFFAOYSA-N
XLogP1.42
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide (CID 139676219) is 5-(4-methylphenyl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3nn[nH]n3)no2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is XZXVMELIXASZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O2/c1-7-2-4-8(5-3-7)10-6-9(16-20-10)11(19)13-12-14-17-18-15-12/h2-6H,1H3,(H2,13,14,15,17,18,19).
What are the key properties of 5-(4-methylphenyl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide?
5-(4-methylphenyl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 270.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 139676219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).