N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-phenyl-1,2-oxazole-5-carboxamide

C14H13N5O2 — CID 86789667

IUPACN-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCc1nc(NC(=O)c2cc(-c3ccccc3)no2)n(C)n1
InChIInChI=1S/C14H13N5O2/c1-9-15-14(19(2)17-9)16-13(20)12-8-11(18-21-12)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,15,16,17,20)
InChIKeyBERVUKUVTWUJHF-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.03
Rot. Bonds3

About N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-phenyl-1,2-oxazole-5-carboxamide

N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 86789667) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID86789667
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC NameN-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCc1nc(NC(=O)c2cc(-c3ccccc3)no2)n(C)n1
InChIInChI=1S/C14H13N5O2/c1-9-15-14(19(2)17-9)16-13(20)12-8-11(18-21-12)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,15,16,17,20)
InChIKeyBERVUKUVTWUJHF-UHFFFAOYSA-N
XLogP2.03
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methylimidazol-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 134700846
N-(2,6-dimethyl-3-pyridinyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 99577393
N-(2,5-dimethyl-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 86789673
N-(3-aminophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 89210653
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 46476032
N-[2-(2-methoxyethyl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 166217471
(2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 61137160
3-phenyl-N-(2,4,4-trimethylpentan-2-yl)-1,2-oxazole-5-carboxamide
CID 55670941
N-[2-(4-bromopyrazol-1-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55764988
N-(3-tert-butylcyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 121439934
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55666411
N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 95714998

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-phenyl-1,2-oxazole-5-carboxamide (CID 86789667) is N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-phenyl-1,2-oxazole-5-carboxamide is Cc1nc(NC(=O)c2cc(-c3ccccc3)no2)n(C)n1.
What is the InChIKey of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is BERVUKUVTWUJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-9-15-14(19(2)17-9)16-13(20)12-8-11(18-21-12)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,15,16,17,20).
What are the key properties of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-phenyl-1,2-oxazole-5-carboxamide?
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 86789667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).