2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one

C11H12N2O2 — CID 12602

IUPAC2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one
SMILESCN(C)C1=NC(=O)C(c2ccccc2)O1
InChIInChI=1S/C11H12N2O2/c1-13(2)11-12-10(14)9(15-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeyJJSHYECKYLDYAR-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.20
Rot. Bonds1

About 2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one

2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one (PubChem CID 12602) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one
PubChem CID12602
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one
SMILESCN(C)C1=NC(=O)C(c2ccccc2)O1
InChIInChI=1S/C11H12N2O2/c1-13(2)11-12-10(14)9(15-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeyJJSHYECKYLDYAR-UHFFFAOYSA-N
XLogP1.20
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pemoline
CID 4723
Cyclazodone
CID 135438121
Fenozolone
CID 135436543
2-Oxazolin-4-one, 5-phenyl-2-(2-propynylamino)-
CID 135400197
3-ME-5-PH Oxazolidine-2,4-dione
CID 571063
2-Amino-5-phenyl4(5H)-oxazolone
CID 137628477
2-Oxazolin-4-one, 2-(N-methyl-N-(1-methyl-2-propynyl)amino)-5-phenyl-
CID 118014
2-Diethylamino-5-phenyl-2-oxazolin-4-one
CID 121407
(2-Imino-5-phenyl-4-oxazolidinonato(2-))diaquomagnesium
CID 6101617
2-Amino-5-phenyl-2-oxazolin-4-one + Mg(OH)2
CID 84048
1-(5-Phenyl-4-oxo-2-oxazolin-2-yl)-4carbamoylpiperazine
CID 13011270
N-methyl-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide
CID 13011271

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one?
The IUPAC name of 2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one (CID 12602) is 2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one.
What is the SMILES notation for 2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one?
The canonical SMILES for 2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one is CN(C)C1=NC(=O)C(c2ccccc2)O1.
What is the InChIKey of 2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one?
The InChIKey is JJSHYECKYLDYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-13(2)11-12-10(14)9(15-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3.
What are the key properties of 2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one?
2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one has a molecular weight of 204.23 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one is sourced from PubChem (CID 12602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).