2-methyl-5-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide

C18H14N6O2 — CID 75506099

IUPAC2-methyl-5-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)c(-c2ccccc2)o1
InChIInChI=1S/C18H14N6O2/c1-11-19-15(16(26-11)12-5-3-2-4-6-12)18(25)20-14-9-7-13(8-10-14)17-21-23-24-22-17/h2-10H,1H3,(H,20,25)(H,21,22,23,24)
InChIKeyKGSZWQMRGOPUIK-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.08
Rot. Bonds4

About 2-methyl-5-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide

2-methyl-5-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 75506099) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-methyl-5-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-5-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID75506099
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name2-methyl-5-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)c(-c2ccccc2)o1
InChIInChI=1S/C18H14N6O2/c1-11-19-15(16(26-11)12-5-3-2-4-6-12)18(25)20-14-9-7-13(8-10-14)17-21-23-24-22-17/h2-10H,1H3,(H,20,25)(H,21,22,23,24)
InChIKeyKGSZWQMRGOPUIK-UHFFFAOYSA-N
XLogP3.08
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-methyl-5-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide (CID 75506099) is 2-methyl-5-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-methyl-5-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-methyl-5-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)c(-c2ccccc2)o1.
What is the InChIKey of 2-methyl-5-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is KGSZWQMRGOPUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2/c1-11-19-15(16(26-11)12-5-3-2-4-6-12)18(25)20-14-9-7-13(8-10-14)17-21-23-24-22-17/h2-10H,1H3,(H,20,25)(H,21,22,23,24).
What are the key properties of 2-methyl-5-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide?
2-methyl-5-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 75506099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).