3-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one

C14H14N4O2 — CID 117428885

IUPAC3-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one
SMILESCc1cn(C)c(=O)n1-c1ccccc1-c1cc(N)no1
InChIInChI=1S/C14H14N4O2/c1-9-8-17(2)14(19)18(9)11-6-4-3-5-10(11)12-7-13(15)16-20-12/h3-8H,1-2H3,(H2,15,16)
InChIKeyOSNAACCEJZXHOQ-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.72
Rot. Bonds2

About 3-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one

3-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one (PubChem CID 117428885) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one.

Molecular Properties

Compound Name3-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one
PubChem CID117428885
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name3-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one
SMILESCc1cn(C)c(=O)n1-c1ccccc1-c1cc(N)no1
InChIInChI=1S/C14H14N4O2/c1-9-8-17(2)14(19)18(9)11-6-4-3-5-10(11)12-7-13(15)16-20-12/h3-8H,1-2H3,(H2,15,16)
InChIKeyOSNAACCEJZXHOQ-UHFFFAOYSA-N
XLogP1.72
TPSA78.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1-methylpiperazine-2,6-dione
CID 117461655
1-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-4-methylpiperazine-2,5-dione
CID 117461656
5-(2-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 117290994
5-(2-iodophenyl)-1,2-oxazol-3-amine
CID 66200615
3-[2-(2-aminoacetyl)phenyl]-1,4-dimethylimidazol-2-one
CID 117365063
5-[2-(1,1-difluoroethyl)phenyl]-1,2-oxazol-3-amine
CID 117321347
5-(2-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 117292510
ethane;5-phenyl-1,2-oxazol-3-amine
CID 145311661
5-[2-(dimethylamino)-3-fluorophenyl]-1,2-oxazol-3-amine
CID 115111733
3-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one
CID 117426420
1-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117461839
5-(2,3-dimethyl-1H-indol-7-yl)-1,2-oxazol-3-amine
CID 117327000

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one?
The IUPAC name of 3-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one (CID 117428885) is 3-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one.
What is the SMILES notation for 3-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one?
The canonical SMILES for 3-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one is Cc1cn(C)c(=O)n1-c1ccccc1-c1cc(N)no1.
What is the InChIKey of 3-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one?
The InChIKey is OSNAACCEJZXHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9-8-17(2)14(19)18(9)11-6-4-3-5-10(11)12-7-13(15)16-20-12/h3-8H,1-2H3,(H2,15,16).
What are the key properties of 3-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one?
3-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one has a molecular weight of 270.29 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one is sourced from PubChem (CID 117428885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).