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

C13H12N6O2 — CID 136579121

IUPAC5-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)Nc1cccc(-n2nnnc2C)c1
InChIInChI=1S/C13H12N6O2/c1-8-12(14-7-21-8)13(20)15-10-4-3-5-11(6-10)19-9(2)16-17-18-19/h3-7H,1-2H3,(H,15,20)
InChIKeyVKNBRJFFJUUCMD-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.52
Rot. Bonds3

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

5-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 136579121) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is 5-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID136579121
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC Name5-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)Nc1cccc(-n2nnnc2C)c1
InChIInChI=1S/C13H12N6O2/c1-8-12(14-7-21-8)13(20)15-10-4-3-5-11(6-10)19-9(2)16-17-18-19/h3-7H,1-2H3,(H,15,20)
InChIKeyVKNBRJFFJUUCMD-UHFFFAOYSA-N
XLogP1.52
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 18717027
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136579582
N-[3-(5-methyltetrazol-1-yl)phenyl]quinoxaline-6-carboxamide
CID 131894718
3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 136576817
N-[3-(4-ethylpiperazin-1-yl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 136532249
phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate
CID 69112128
[3-(5-methyltetrazol-1-yl)phenyl]thiourea
CID 169356763
5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43701560
2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 47329361
(2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 61178099
2-methyl-5-methylsulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 86983152
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide
CID 131889333

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide (CID 136579121) is 5-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)Nc1cccc(-n2nnnc2C)c1.
What is the InChIKey of 5-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is VKNBRJFFJUUCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2/c1-8-12(14-7-21-8)13(20)15-10-4-3-5-11(6-10)19-9(2)16-17-18-19/h3-7H,1-2H3,(H,15,20).
What are the key properties of 5-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide?
5-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 284.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 136579121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).