N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-1H-1,2,4-triazole-5-carboxamide

C13H11N5O2 — CID 166222186

IUPACN-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCc1noc(-c2ccccc2)c1NC(=O)c1ncn[nH]1
InChIInChI=1S/C13H11N5O2/c1-8-10(16-13(19)12-14-7-15-17-12)11(20-18-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,16,19)(H,14,15,17)
InChIKeyUMDMZWXUGCSMLR-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.02
Rot. Bonds3

About N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-1H-1,2,4-triazole-5-carboxamide

N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 166222186) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID166222186
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC NameN-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCc1noc(-c2ccccc2)c1NC(=O)c1ncn[nH]1
InChIInChI=1S/C13H11N5O2/c1-8-10(16-13(19)12-14-7-15-17-12)11(20-18-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,16,19)(H,14,15,17)
InChIKeyUMDMZWXUGCSMLR-UHFFFAOYSA-N
XLogP2.02
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(3-methyl-5-phenyl-1,2-oxazol-4-yl)oxamide
CID 119043716
1-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-3-(2,2,2-trifluoroethyl)urea
CID 141295939
N-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 56857585
N-hydroxy-4-[1-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)carbamoylamino]ethyl]benzamide
CID 58417341
(3-ethyl-5-phenyl-1,2-oxazol-4-yl)carbamic acid
CID 68885744
1-[(1S,2R)-2-methylcyclohexyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea
CID 97307899
[3-methyl-5-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]-1,2-oxazol-4-yl]carbamic acid
CID 68884690
1-[(2,6-difluorophenyl)methyl]-3-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]urea
CID 141295972
[3-methyl-5-[4-(2-phenylethylsulfanylmethyl)phenyl]-1,2-oxazol-4-yl]carbamic acid
CID 68883689
N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 779767
[5-[4-(methoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid
CID 68885549
N-(2,3,5,6-tetrafluorophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 107642769

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-1H-1,2,4-triazole-5-carboxamide (CID 166222186) is N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-1H-1,2,4-triazole-5-carboxamide is Cc1noc(-c2ccccc2)c1NC(=O)c1ncn[nH]1.
What is the InChIKey of N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is UMDMZWXUGCSMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-8-10(16-13(19)12-14-7-15-17-12)11(20-18-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,16,19)(H,14,15,17).
What are the key properties of N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-1H-1,2,4-triazole-5-carboxamide?
N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 166222186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).