2-(3-methyl-1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide

C14H14N6O2 — CID 91760353

IUPAC2-(3-methyl-1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
SMILESCc1cc(CC(=O)NCc2nc(-c3ccncc3)n[nH]2)on1
InChIInChI=1S/C14H14N6O2/c1-9-6-11(22-20-9)7-13(21)16-8-12-17-14(19-18-12)10-2-4-15-5-3-10/h2-6H,7-8H2,1H3,(H,16,21)(H,17,18,19)
InChIKeyGBEYMZKOEHPEKN-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.02
Rot. Bonds5

About 2-(3-methyl-1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide

2-(3-methyl-1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide (PubChem CID 91760353) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
PubChem CID91760353
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name2-(3-methyl-1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
SMILESCc1cc(CC(=O)NCc2nc(-c3ccncc3)n[nH]2)on1
InChIInChI=1S/C14H14N6O2/c1-9-6-11(22-20-9)7-13(21)16-8-12-17-14(19-18-12)10-2-4-15-5-3-10/h2-6H,7-8H2,1H3,(H,16,21)(H,17,18,19)
InChIKeyGBEYMZKOEHPEKN-UHFFFAOYSA-N
XLogP1.02
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 16672587
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]butanamide
CID 131949873
5-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide
CID 46958783
N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 91780894
5,6-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1H-pyridine-3-carboxamide
CID 70744904
4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 82569633
5-(5-methylthiophen-2-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1H-pyrazole-3-carboxamide
CID 70788775
2,3,6-trimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]quinoline-4-carboxamide
CID 72896656
tert-butyl N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]carbamate
CID 71124077
2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 11264149
N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 69317898
N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazole-2-carboxamide
CID 25106890

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide (CID 91760353) is 2-(3-methyl-1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide is Cc1cc(CC(=O)NCc2nc(-c3ccncc3)n[nH]2)on1.
What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide?
The InChIKey is GBEYMZKOEHPEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c1-9-6-11(22-20-9)7-13(21)16-8-12-17-14(19-18-12)10-2-4-15-5-3-10/h2-6H,7-8H2,1H3,(H,16,21)(H,17,18,19).
What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide?
2-(3-methyl-1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide has a molecular weight of 298.31 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide is sourced from PubChem (CID 91760353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).