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

C19H16N6O2 — CID 47036749

IUPAC5-methyl-2-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)NCc1cccnc1-n1cncn1
InChIInChI=1S/C19H16N6O2/c1-13-16(24-19(27-13)14-6-3-2-4-7-14)18(26)22-10-15-8-5-9-21-17(15)25-12-20-11-23-25/h2-9,11-12H,10H2,1H3,(H,22,26)
InChIKeyVHBXNJIBPQYNAW-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.56
Rot. Bonds5

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

5-methyl-2-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 47036749) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 5-methyl-2-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID47036749
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name5-methyl-2-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)NCc1cccnc1-n1cncn1
InChIInChI=1S/C19H16N6O2/c1-13-16(24-19(27-13)14-6-3-2-4-7-14)18(26)22-10-15-8-5-9-21-17(15)25-12-20-11-23-25/h2-9,11-12H,10H2,1H3,(H,22,26)
InChIKeyVHBXNJIBPQYNAW-UHFFFAOYSA-N
XLogP2.56
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-2-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

5-methyl-3-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide
CID 154822330
5-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 17441319
4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide
CID 47036755
7-fluoro-2,3-dimethyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoxaline-5-carboxamide
CID 47057006
6-chloro-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoline-3-carboxamide
CID 47036764
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]furan-2-carboxamide
CID 47056990
5-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 31011892
N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55841050
2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 51091803
7-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 47036833
1-phenyl-5-thiophen-2-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxamide
CID 55720490
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 78878591

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-2-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide (CID 47036749) is 5-methyl-2-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide is Cc1oc(-c2ccccc2)nc1C(=O)NCc1cccnc1-n1cncn1.
What is the InChIKey of 5-methyl-2-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is VHBXNJIBPQYNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-13-16(24-19(27-13)14-6-3-2-4-7-14)18(26)22-10-15-8-5-9-21-17(15)25-12-20-11-23-25/h2-9,11-12H,10H2,1H3,(H,22,26).
What are the key properties of 5-methyl-2-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide?
5-methyl-2-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 360.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 47036749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).