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

C17H14N6O2 — CID 70771738

IUPACN-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide
SMILESCN(Cc1cc(-c2ccncc2)no1)C(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H14N6O2/c1-23(17(24)12-2-3-14-16(8-12)20-22-19-14)10-13-9-15(21-25-13)11-4-6-18-7-5-11/h2-9H,10H2,1H3,(H,19,20,22)
InChIKeyYWAQECGAOVHWSL-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.28
Rot. Bonds4

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

N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide (PubChem CID 70771738) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide
PubChem CID70771738
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC NameN-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide
SMILESCN(Cc1cc(-c2ccncc2)no1)C(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H14N6O2/c1-23(17(24)12-2-3-14-16(8-12)20-22-19-14)10-13-9-15(21-25-13)11-4-6-18-7-5-11/h2-9H,10H2,1H3,(H,19,20,22)
InChIKeyYWAQECGAOVHWSL-UHFFFAOYSA-N
XLogP2.28
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]benzamide
CID 131898307
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 70786939
2-ethyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-5-carboxamide
CID 70757281
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72902762
1-tert-butyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrole-3-carboxamide
CID 91762349
1-methyl-3-(2-methylbutyl)-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
CID 119060814
1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
CID 126427845
N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide
CID 25341525
N-methyl-3-(oxan-4-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176501303
1-(difluoromethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide
CID 72837401
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(propanoylamino)benzamide
CID 46989874
methyl 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoate
CID 56915722

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide (CID 70771738) is N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide is CN(Cc1cc(-c2ccncc2)no1)C(=O)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is YWAQECGAOVHWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c1-23(17(24)12-2-3-14-16(8-12)20-22-19-14)10-13-9-15(21-25-13)11-4-6-18-7-5-11/h2-9H,10H2,1H3,(H,19,20,22).
What are the key properties of N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide?
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 70771738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).