N-(6-methoxy-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide

C17H15N5O4 — CID 67501345

IUPACN-(6-methoxy-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cn3cnc4c3ccc(=O)n4C)oc2c1
InChIInChI=1S/C17H15N5O4/c1-21-15(24)6-5-12-16(21)18-9-22(12)8-14(23)20-17-19-11-4-3-10(25-2)7-13(11)26-17/h3-7,9H,8H2,1-2H3,(H,19,20,23)
InChIKeyYPULAPCHTAYZCR-UHFFFAOYSA-N
MW353.34 g/mol
LogP1.52
Rot. Bonds4

About N-(6-methoxy-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide

N-(6-methoxy-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide (PubChem CID 67501345) has the molecular formula C17H15N5O4 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
PubChem CID67501345
Molecular FormulaC17H15N5O4
Molecular Weight353.34 g/mol
Exact Mass353.11
IUPAC NameN-(6-methoxy-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cn3cnc4c3ccc(=O)n4C)oc2c1
InChIInChI=1S/C17H15N5O4/c1-21-15(24)6-5-12-16(21)18-9-22(12)8-14(23)20-17-19-11-4-3-10(25-2)7-13(11)26-17/h3-7,9H,8H2,1-2H3,(H,19,20,23)
InChIKeyYPULAPCHTAYZCR-UHFFFAOYSA-N
XLogP1.52
TPSA104.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,3-benzoxazol-2-yl)-2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 90797430
N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 87424152
ethyl 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate
CID 155083762
N-[2-(4-methoxyphenyl)ethyl]-2-(3-methyl-2-oxopurin-7-yl)acetamide
CID 67501328
2-(4,5-dimethyl-6-oxo-5H-pyrrolo[2,3-d]imidazol-1-yl)-N-(6-fluoro-5-methoxy-1,3-benzoxazol-2-yl)acetamide
CID 67502315
2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol
CID 146454064
2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carbaldehyde
CID 155709058
2-(benzimidazol-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121033620
2-(6-methoxybenzimidazol-1-yl)acetic acid
CID 84778979
2-(benzimidazol-1-yl)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515924
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 4083820
[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 23911692

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide (CID 67501345) is N-(6-methoxy-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide is COc1ccc2nc(NC(=O)Cn3cnc4c3ccc(=O)n4C)oc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide?
The InChIKey is YPULAPCHTAYZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4/c1-21-15(24)6-5-12-16(21)18-9-22(12)8-14(23)20-17-19-11-4-3-10(25-2)7-13(11)26-17/h3-7,9H,8H2,1-2H3,(H,19,20,23).
What are the key properties of N-(6-methoxy-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide?
N-(6-methoxy-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide has a molecular weight of 353.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 67501345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).