4-[4-(1,3-oxazol-5-yl)benzoyl]-1,3-dihydroquinoxalin-2-one

C18H13N3O3 — CID 75416558

IUPAC4-[4-(1,3-oxazol-5-yl)benzoyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2ccc(-c3cnco3)cc2)c2ccccc2N1
InChIInChI=1S/C18H13N3O3/c22-17-10-21(15-4-2-1-3-14(15)20-17)18(23)13-7-5-12(6-8-13)16-9-19-11-24-16/h1-9,11H,10H2,(H,20,22)
InChIKeyANQCXBTWHILCGU-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.94
Rot. Bonds2

About 4-[4-(1,3-oxazol-5-yl)benzoyl]-1,3-dihydroquinoxalin-2-one

4-[4-(1,3-oxazol-5-yl)benzoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 75416558) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 4-[4-(1,3-oxazol-5-yl)benzoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[4-(1,3-oxazol-5-yl)benzoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID75416558
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC Name4-[4-(1,3-oxazol-5-yl)benzoyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2ccc(-c3cnco3)cc2)c2ccccc2N1
InChIInChI=1S/C18H13N3O3/c22-17-10-21(15-4-2-1-3-14(15)20-17)18(23)13-7-5-12(6-8-13)16-9-19-11-24-16/h1-9,11H,10H2,(H,20,22)
InChIKeyANQCXBTWHILCGU-UHFFFAOYSA-N
XLogP2.94
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863954
4-(6-aminopyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 62152009
4-[4-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43333513
4-(3,4-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 103956224
5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)furan-3-carboxylic acid
CID 104607120
4-(imidazo[1,5-a]pyridine-7-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 170568729
4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863960
4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16802704
4-(3H-benzimidazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 110667501
4-[6-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 170568770
4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 3159804

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-oxazol-5-yl)benzoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[4-(1,3-oxazol-5-yl)benzoyl]-1,3-dihydroquinoxalin-2-one (CID 75416558) is 4-[4-(1,3-oxazol-5-yl)benzoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[4-(1,3-oxazol-5-yl)benzoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[4-(1,3-oxazol-5-yl)benzoyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)c2ccc(-c3cnco3)cc2)c2ccccc2N1.
What is the InChIKey of 4-[4-(1,3-oxazol-5-yl)benzoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is ANQCXBTWHILCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c22-17-10-21(15-4-2-1-3-14(15)20-17)18(23)13-7-5-12(6-8-13)16-9-19-11-24-16/h1-9,11H,10H2,(H,20,22).
What are the key properties of 4-[4-(1,3-oxazol-5-yl)benzoyl]-1,3-dihydroquinoxalin-2-one?
4-[4-(1,3-oxazol-5-yl)benzoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 319.32 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-oxazol-5-yl)benzoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 75416558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).