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

C18H14N6O2 — CID 146021404

IUPAC5-(4-methylphenyl)-N-[3-(tetrazol-1-yl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cccc(-n4cnnn4)c3)no2)cc1
InChIInChI=1S/C18H14N6O2/c1-12-5-7-13(8-6-12)17-10-16(21-26-17)18(25)20-14-3-2-4-15(9-14)24-11-19-22-23-24/h2-11H,1H3,(H,20,25)
InChIKeyYMXFXVMQKBESGV-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.88
Rot. Bonds4

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

5-(4-methylphenyl)-N-[3-(tetrazol-1-yl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 146021404) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-[3-(tetrazol-1-yl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-[3-(tetrazol-1-yl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID146021404
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name5-(4-methylphenyl)-N-[3-(tetrazol-1-yl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cccc(-n4cnnn4)c3)no2)cc1
InChIInChI=1S/C18H14N6O2/c1-12-5-7-13(8-6-12)17-10-16(21-26-17)18(25)20-14-3-2-4-15(9-14)24-11-19-22-23-24/h2-11H,1H3,(H,20,25)
InChIKeyYMXFXVMQKBESGV-UHFFFAOYSA-N
XLogP2.88
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17011506
4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide
CID 146021769
N-[3-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide
CID 47367692
5-[4-(diaminomethylideneamino)phenyl]-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 90644253
5-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carbohydrazide
CID 39429005
4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 43702822
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 17445534
2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 32696269
5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17022145
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 34548815
3-chloro-2,2-dimethyl-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 63679217

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-[3-(tetrazol-1-yl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-[3-(tetrazol-1-yl)phenyl]-1,2-oxazole-3-carboxamide (CID 146021404) is 5-(4-methylphenyl)-N-[3-(tetrazol-1-yl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-[3-(tetrazol-1-yl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-[3-(tetrazol-1-yl)phenyl]-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cccc(-n4cnnn4)c3)no2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-[3-(tetrazol-1-yl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is YMXFXVMQKBESGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2/c1-12-5-7-13(8-6-12)17-10-16(21-26-17)18(25)20-14-3-2-4-15(9-14)24-11-19-22-23-24/h2-11H,1H3,(H,20,25).
What are the key properties of 5-(4-methylphenyl)-N-[3-(tetrazol-1-yl)phenyl]-1,2-oxazole-3-carboxamide?
5-(4-methylphenyl)-N-[3-(tetrazol-1-yl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-[3-(tetrazol-1-yl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146021404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).