N-(5,6-dichloro-1,3-benzoxazol-2-yl)-2-(5,7-dimethyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide

C17H13Cl2N5O3 — CID 67502084

IUPACN-(5,6-dichloro-1,3-benzoxazol-2-yl)-2-(5,7-dimethyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide
SMILESCc1cn(C)c(=O)c2c1ncn2CC(=O)Nc1nc2cc(Cl)c(Cl)cc2o1
InChIInChI=1S/C17H13Cl2N5O3/c1-8-5-23(2)16(26)15-14(8)20-7-24(15)6-13(25)22-17-21-11-3-9(18)10(19)4-12(11)27-17/h3-5,7H,6H2,1-2H3,(H,21,22,25)
InChIKeyARDARTZYMUQABV-UHFFFAOYSA-N
MW406.23 g/mol
LogP3.13
Rot. Bonds3

About N-(5,6-dichloro-1,3-benzoxazol-2-yl)-2-(5,7-dimethyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide

N-(5,6-dichloro-1,3-benzoxazol-2-yl)-2-(5,7-dimethyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide (PubChem CID 67502084) has the molecular formula C17H13Cl2N5O3 and a molecular weight of 406.23 g/mol. Its IUPAC name is N-(5,6-dichloro-1,3-benzoxazol-2-yl)-2-(5,7-dimethyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(5,6-dichloro-1,3-benzoxazol-2-yl)-2-(5,7-dimethyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide
PubChem CID67502084
Molecular FormulaC17H13Cl2N5O3
Molecular Weight406.23 g/mol
Exact Mass405.04
IUPAC NameN-(5,6-dichloro-1,3-benzoxazol-2-yl)-2-(5,7-dimethyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide
SMILESCc1cn(C)c(=O)c2c1ncn2CC(=O)Nc1nc2cc(Cl)c(Cl)cc2o1
InChIInChI=1S/C17H13Cl2N5O3/c1-8-5-23(2)16(26)15-14(8)20-7-24(15)6-13(25)22-17-21-11-3-9(18)10(19)4-12(11)27-17/h3-5,7H,6H2,1-2H3,(H,21,22,25)
InChIKeyARDARTZYMUQABV-UHFFFAOYSA-N
XLogP3.13
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(5,7-dimethyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide
CID 44603053
N-(1,3-benzoxazol-2-yl)-2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 90797430
2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)-N-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)acetamide
CID 161378465
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-(5,6-difluoro-1,3-benzoxazol-2-yl)-2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide
CID 67500640
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
N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27873306
N-(6-methoxy-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 67501345
2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(3-methylphenyl)acetamide
CID 51363834
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(5-methyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide
CID 87424122
N-(4-chloro-2-methylphenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 7628708

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dichloro-1,3-benzoxazol-2-yl)-2-(5,7-dimethyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide?
The IUPAC name of N-(5,6-dichloro-1,3-benzoxazol-2-yl)-2-(5,7-dimethyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide (CID 67502084) is N-(5,6-dichloro-1,3-benzoxazol-2-yl)-2-(5,7-dimethyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide.
What is the SMILES notation for N-(5,6-dichloro-1,3-benzoxazol-2-yl)-2-(5,7-dimethyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide?
The canonical SMILES for N-(5,6-dichloro-1,3-benzoxazol-2-yl)-2-(5,7-dimethyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide is Cc1cn(C)c(=O)c2c1ncn2CC(=O)Nc1nc2cc(Cl)c(Cl)cc2o1.
What is the InChIKey of N-(5,6-dichloro-1,3-benzoxazol-2-yl)-2-(5,7-dimethyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide?
The InChIKey is ARDARTZYMUQABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N5O3/c1-8-5-23(2)16(26)15-14(8)20-7-24(15)6-13(25)22-17-21-11-3-9(18)10(19)4-12(11)27-17/h3-5,7H,6H2,1-2H3,(H,21,22,25).
What are the key properties of N-(5,6-dichloro-1,3-benzoxazol-2-yl)-2-(5,7-dimethyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide?
N-(5,6-dichloro-1,3-benzoxazol-2-yl)-2-(5,7-dimethyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide has a molecular weight of 406.23 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dichloro-1,3-benzoxazol-2-yl)-2-(5,7-dimethyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide is sourced from PubChem (CID 67502084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).