N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-1,3-benzoxazole-6-carboxamide

C17H17N3O3 — CID 134799037

IUPACN-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-1,3-benzoxazole-6-carboxamide
SMILESCOCCNC(=O)c1ccc2nc(-c3cccc(C)n3)oc2c1
InChIInChI=1S/C17H17N3O3/c1-11-4-3-5-14(19-11)17-20-13-7-6-12(10-15(13)23-17)16(21)18-8-9-22-2/h3-7,10H,8-9H2,1-2H3,(H,18,21)
InChIKeyQGKUMHXKDYDVLE-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.57
Rot. Bonds5

About N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-1,3-benzoxazole-6-carboxamide

N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 134799037) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-1,3-benzoxazole-6-carboxamide
PubChem CID134799037
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-1,3-benzoxazole-6-carboxamide
SMILESCOCCNC(=O)c1ccc2nc(-c3cccc(C)n3)oc2c1
InChIInChI=1S/C17H17N3O3/c1-11-4-3-5-14(19-11)17-20-13-7-6-12(10-15(13)23-17)16(21)18-8-9-22-2/h3-7,10H,8-9H2,1-2H3,(H,18,21)
InChIKeyQGKUMHXKDYDVLE-UHFFFAOYSA-N
XLogP2.57
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-1,3-benzoxazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxypropyl)-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
CID 134797727
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765255
N-(2-phenylethyl)-2-pyridin-2-yl-1,3-benzoxazole-6-carboxamide
CID 134798841
2-chloro-N-(2-methoxyethyl)-1,3-benzoxazole-5-carboxamide
CID 100786779
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide
CID 72927113
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
N-(2-methoxyethyl)-2-(6-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carboxamide
CID 134799855
2-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 143659675
2-(3-methoxyphenyl)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzoxazole-6-carboxamide
CID 72864600
N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
CID 134799606
2-ethyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 110765503
2-(3-methoxyphenyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3-benzoxazole-6-carboxamide
CID 26324000

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-1,3-benzoxazole-6-carboxamide (CID 134799037) is N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-1,3-benzoxazole-6-carboxamide is COCCNC(=O)c1ccc2nc(-c3cccc(C)n3)oc2c1.
What is the InChIKey of N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is QGKUMHXKDYDVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11-4-3-5-14(19-11)17-20-13-7-6-12(10-15(13)23-17)16(21)18-8-9-22-2/h3-7,10H,8-9H2,1-2H3,(H,18,21).
What are the key properties of N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-1,3-benzoxazole-6-carboxamide?
N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 134799037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).