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

C17H16FN5O4 — CID 67502315

IUPAC2-(4,5-dimethyl-6-oxo-5H-pyrrolo[2,3-d]imidazol-1-yl)-N-(6-fluoro-5-methoxy-1,3-benzoxazol-2-yl)acetamide
SMILESCOc1cc2nc(NC(=O)Cn3cnc4c3C(=O)C(C)N4C)oc2cc1F
InChIInChI=1S/C17H16FN5O4/c1-8-15(25)14-16(22(8)2)19-7-23(14)6-13(24)21-17-20-10-5-11(26-3)9(18)4-12(10)27-17/h4-5,7-8H,6H2,1-3H3,(H,20,21,24)
InChIKeyRYLPUNVSPPOPFR-UHFFFAOYSA-N
MW373.34 g/mol
LogP1.83
Rot. Bonds4

About 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

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 (PubChem CID 67502315) has the molecular formula C17H16FN5O4 and a molecular weight of 373.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(4,5-dimethyl-6-oxo-5H-pyrrolo[2,3-d]imidazol-1-yl)-N-(6-fluoro-5-methoxy-1,3-benzoxazol-2-yl)acetamide
PubChem CID67502315
Molecular FormulaC17H16FN5O4
Molecular Weight373.34 g/mol
Exact Mass373.12
IUPAC Name2-(4,5-dimethyl-6-oxo-5H-pyrrolo[2,3-d]imidazol-1-yl)-N-(6-fluoro-5-methoxy-1,3-benzoxazol-2-yl)acetamide
SMILESCOc1cc2nc(NC(=O)Cn3cnc4c3C(=O)C(C)N4C)oc2cc1F
InChIInChI=1S/C17H16FN5O4/c1-8-15(25)14-16(22(8)2)19-7-23(14)6-13(24)21-17-20-10-5-11(26-3)9(18)4-12(10)27-17/h4-5,7-8H,6H2,1-3H3,(H,20,21,24)
InChIKeyRYLPUNVSPPOPFR-UHFFFAOYSA-N
XLogP1.83
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-(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-(5,7-dimethyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide
CID 67502084
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-(1,3-benzoxazol-2-yl)-2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 90797430
2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 134444436
N-(2-methoxydibenzofuran-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2684570
2-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(methylideneamino)amino]-N-(6-chloro-5-methoxy-1,3-benzoxazol-2-yl)acetamide
CID 70943291
2-(3-bromo-1-ethyl-7-oxopyrazolo[4,5-d]pyrimidin-6-yl)-N-(3-fluoro-4-methoxyphenyl)acetamide
CID 167236024
2-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 7741631
2-(2-hydroxy-1,3-dimethyl-6-oxo-2H-purin-7-yl)-N-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]acetamide
CID 56959284
methyl 5-fluoro-6-methoxy-1-benzofuran-2-carboxylate
CID 165463721

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc2nc(NC(=O)Cn3cnc4c3C(=O)C(C)N4C)oc2cc1F.
What is the InChIKey of 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?
The InChIKey is RYLPUNVSPPOPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O4/c1-8-15(25)14-16(22(8)2)19-7-23(14)6-13(24)21-17-20-10-5-11(26-3)9(18)4-12(10)27-17/h4-5,7-8H,6H2,1-3H3,(H,20,21,24).
What are the key properties of 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?
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 has a molecular weight of 373.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67502315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).