2-(4,5-dimethyl-6-oxo-5H-pyrrolo[2,3-d]imidazol-1-yl)-N-(6-fluoro-1,3-benzoxazol-2-yl)acetamide

C16H14FN5O3 — CID 67501772

IUPAC2-(4,5-dimethyl-6-oxo-5H-pyrrolo[2,3-d]imidazol-1-yl)-N-(6-fluoro-1,3-benzoxazol-2-yl)acetamide
SMILESCC1C(=O)c2c(ncn2CC(=O)Nc2nc3ccc(F)cc3o2)N1C
InChIInChI=1S/C16H14FN5O3/c1-8-14(24)13-15(21(8)2)18-7-22(13)6-12(23)20-16-19-10-4-3-9(17)5-11(10)25-16/h3-5,7-8H,6H2,1-2H3,(H,19,20,23)
InChIKeyOBULTFWYQCCHDH-UHFFFAOYSA-N
MW343.32 g/mol
LogP1.82
Rot. Bonds3

About 2-(4,5-dimethyl-6-oxo-5H-pyrrolo[2,3-d]imidazol-1-yl)-N-(6-fluoro-1,3-benzoxazol-2-yl)acetamide

2-(4,5-dimethyl-6-oxo-5H-pyrrolo[2,3-d]imidazol-1-yl)-N-(6-fluoro-1,3-benzoxazol-2-yl)acetamide (PubChem CID 67501772) has the molecular formula C16H14FN5O3 and a molecular weight of 343.32 g/mol. Its IUPAC name is 2-(4,5-dimethyl-6-oxo-5H-pyrrolo[2,3-d]imidazol-1-yl)-N-(6-fluoro-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-1,3-benzoxazol-2-yl)acetamide
PubChem CID67501772
Molecular FormulaC16H14FN5O3
Molecular Weight343.32 g/mol
Exact Mass343.11
IUPAC Name2-(4,5-dimethyl-6-oxo-5H-pyrrolo[2,3-d]imidazol-1-yl)-N-(6-fluoro-1,3-benzoxazol-2-yl)acetamide
SMILESCC1C(=O)c2c(ncn2CC(=O)Nc2nc3ccc(F)cc3o2)N1C
InChIInChI=1S/C16H14FN5O3/c1-8-14(24)13-15(21(8)2)18-7-22(13)6-12(23)20-16-19-10-4-3-9(17)5-11(10)25-16/h3-5,7-8H,6H2,1-2H3,(H,19,20,23)
InChIKeyOBULTFWYQCCHDH-UHFFFAOYSA-N
XLogP1.82
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(6-methoxy-1,3-benzoxazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 67501345
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-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
[2-[[(6-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-fluoro-4-methyl-6-pyrimidin-2-ylphenyl)methanone
CID 123534732
[3,4-difluoro-2-(triazol-2-yl)phenyl]-[2-[[(6-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidin-1-yl]methanone
CID 123151061
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
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide
CID 87424254
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3-methyl-2H-purin-7-yl)acetamide
CID 90877655
[(2S,3R)-2-[[(6-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(5-fluoro-4-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 118319939
N-cyclopropyl-6-fluoro-1,3-benzoxazol-2-amine
CID 171996610

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-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-1,3-benzoxazol-2-yl)acetamide (CID 67501772) is 2-(4,5-dimethyl-6-oxo-5H-pyrrolo[2,3-d]imidazol-1-yl)-N-(6-fluoro-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-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-1,3-benzoxazol-2-yl)acetamide is CC1C(=O)c2c(ncn2CC(=O)Nc2nc3ccc(F)cc3o2)N1C.
What is the InChIKey of 2-(4,5-dimethyl-6-oxo-5H-pyrrolo[2,3-d]imidazol-1-yl)-N-(6-fluoro-1,3-benzoxazol-2-yl)acetamide?
The InChIKey is OBULTFWYQCCHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O3/c1-8-14(24)13-15(21(8)2)18-7-22(13)6-12(23)20-16-19-10-4-3-9(17)5-11(10)25-16/h3-5,7-8H,6H2,1-2H3,(H,19,20,23).
What are the key properties of 2-(4,5-dimethyl-6-oxo-5H-pyrrolo[2,3-d]imidazol-1-yl)-N-(6-fluoro-1,3-benzoxazol-2-yl)acetamide?
2-(4,5-dimethyl-6-oxo-5H-pyrrolo[2,3-d]imidazol-1-yl)-N-(6-fluoro-1,3-benzoxazol-2-yl)acetamide has a molecular weight of 343.32 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 2-(4,5-dimethyl-6-oxo-5H-pyrrolo[2,3-d]imidazol-1-yl)-N-(6-fluoro-1,3-benzoxazol-2-yl)acetamide is sourced from PubChem (CID 67501772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).