3-(3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one

C19H16N2O4 — CID 139985373

IUPAC3-(3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)C1ON=C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C19H16N2O4/c22-18(21-11-12-24-19(21)23)17-15(13-7-3-1-4-8-13)16(20-25-17)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2
InChIKeyQHMBADDBCCDXNN-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.55
Rot. Bonds3

About 3-(3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one

3-(3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one (PubChem CID 139985373) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 3-(3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one
PubChem CID139985373
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name3-(3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)C1ON=C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C19H16N2O4/c22-18(21-11-12-24-19(21)23)17-15(13-7-3-1-4-8-13)16(20-25-17)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2
InChIKeyQHMBADDBCCDXNN-UHFFFAOYSA-N
XLogP2.55
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-fluorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 139985376
(4R,5R)-N,N-dimethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 100963160
3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 101132286
(4S,5S)-N,N-diethyl-3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 10591937
3-[(1R,2S,3R,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one
CID 51346284
3-[(3R,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one
CID 101040640
3-[(4R,5S)-5-methyl-3-thiophen-2-yl-4,5-dihydro-1,2-oxazole-4-carbonyl]-1,3-oxazolidin-2-one
CID 100921508
3-(4-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one;toluene
CID 144509444
3-[(4R,5R)-4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazine-5-carbonyl]-1,3-oxazolidin-2-one
CID 102096568
(4R,5R)-4-hydroxy-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 11095797
3-[(3S,4R)-5-(3-chlorophenyl)-4-ethyl-2-phenyl-3,4-dihydropyrazole-3-carbonyl]-1,3-oxazolidin-2-one
CID 25011038
3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 102037754

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one (CID 139985373) is 3-(3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one is O=C1OCCN1C(=O)C1ON=C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 3-(3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one?
The InChIKey is QHMBADDBCCDXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c22-18(21-11-12-24-19(21)23)17-15(13-7-3-1-4-8-13)16(20-25-17)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2.
What are the key properties of 3-(3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one?
3-(3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one has a molecular weight of 336.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 139985373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).