N-(1,3-benzoxazol-2-yl)-2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide

C17H15N5O3 — CID 90797430

IUPACN-(1,3-benzoxazol-2-yl)-2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
SMILESCc1cc(=O)n(C)c2ncn(CC(=O)Nc3nc4ccccc4o3)c12
InChIInChI=1S/C17H15N5O3/c1-10-7-14(24)21(2)16-15(10)22(9-18-16)8-13(23)20-17-19-11-5-3-4-6-12(11)25-17/h3-7,9H,8H2,1-2H3,(H,19,20,23)
InChIKeyMTYYNQRRCIJBLS-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.82
Rot. Bonds3

About N-(1,3-benzoxazol-2-yl)-2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide

N-(1,3-benzoxazol-2-yl)-2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide (PubChem CID 90797430) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-yl)-2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-yl)-2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
PubChem CID90797430
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC NameN-(1,3-benzoxazol-2-yl)-2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
SMILESCc1cc(=O)n(C)c2ncn(CC(=O)Nc3nc4ccccc4o3)c12
InChIInChI=1S/C17H15N5O3/c1-10-7-14(24)21(2)16-15(10)22(9-18-16)8-13(23)20-17-19-11-5-3-4-6-12(11)25-17/h3-7,9H,8H2,1-2H3,(H,19,20,23)
InChIKeyMTYYNQRRCIJBLS-UHFFFAOYSA-N
XLogP1.82
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-methoxy-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 67501345
N-(5,6-dichloro-1,3-benzoxazol-2-yl)-2-(6-hydroxy-4,5-dimethylpyrrolo[2,3-d]imidazol-1-yl)acetamide
CID 91553496
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 87424153
N-(5,6-dichloro-1,3-benzoxazol-2-yl)-2-(5,7-dimethyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide
CID 67502084
2-(4,5-dimethyl-6-oxo-5H-pyrrolo[2,3-d]imidazol-1-yl)-N-(6-fluoro-1,3-benzoxazol-2-yl)acetamide
CID 67501772
N-(4H-chromeno[4,3-d][1,3]oxazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 122635913
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 26682960
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3,4-dimethylphenyl)acetamide
CID 775363
N-(1,3-benzoxazol-2-yl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112528206
N-(1,3-benzoxazol-2-yl)-2-(4-chlorophenyl)acetamide
CID 90655333
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121120797
2-(3-methyl-2,6-dioxopurin-7-yl)-N-phenylacetamide
CID 7304333

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-yl)-2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide?
The IUPAC name of N-(1,3-benzoxazol-2-yl)-2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide (CID 90797430) is N-(1,3-benzoxazol-2-yl)-2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzoxazol-2-yl)-2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzoxazol-2-yl)-2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide is Cc1cc(=O)n(C)c2ncn(CC(=O)Nc3nc4ccccc4o3)c12.
What is the InChIKey of N-(1,3-benzoxazol-2-yl)-2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide?
The InChIKey is MTYYNQRRCIJBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-10-7-14(24)21(2)16-15(10)22(9-18-16)8-13(23)20-17-19-11-5-3-4-6-12(11)25-17/h3-7,9H,8H2,1-2H3,(H,19,20,23).
What are the key properties of N-(1,3-benzoxazol-2-yl)-2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide?
N-(1,3-benzoxazol-2-yl)-2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide has a molecular weight of 337.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-yl)-2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 90797430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).