3-[2-bis(4-methylphenyl)phosphanylethyl]-1,3-oxazolidin-2-one

C19H22NO2P — CID 176630237

IUPAC3-[2-bis(4-methylphenyl)phosphanylethyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(P(CCN2CCOC2=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H22NO2P/c1-15-3-7-17(8-4-15)23(18-9-5-16(2)6-10-18)14-12-20-11-13-22-19(20)21/h3-10H,11-14H2,1-2H3
InChIKeyOEPNNEZABWENAX-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.19
Rot. Bonds5

About 3-[2-bis(4-methylphenyl)phosphanylethyl]-1,3-oxazolidin-2-one

3-[2-bis(4-methylphenyl)phosphanylethyl]-1,3-oxazolidin-2-one (PubChem CID 176630237) has the molecular formula C19H22NO2P and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-[2-bis(4-methylphenyl)phosphanylethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-bis(4-methylphenyl)phosphanylethyl]-1,3-oxazolidin-2-one
PubChem CID176630237
Molecular FormulaC19H22NO2P
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name3-[2-bis(4-methylphenyl)phosphanylethyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(P(CCN2CCOC2=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H22NO2P/c1-15-3-7-17(8-4-15)23(18-9-5-16(2)6-10-18)14-12-20-11-13-22-19(20)21/h3-10H,11-14H2,1-2H3
InChIKeyOEPNNEZABWENAX-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Fenpipalone
CID 30822
tert-butyl (2S)-2-[bis(2-methylphenyl)phosphanylmethyl]pyrrolidine-1-carboxylate
CID 135000059
3-Styryl-oxazolidin-2-one
CID 13790906
3-(Phenylethynyl)oxazolidin-2-one
CID 23629254
Cinnamyl-oxazolidinone
CID 68523529
3-Acetyl-1,3-oxazolidin-2-one;benzene;1-ethyl-4-(trifluoromethyl)benzene
CID 142842366
tert-butyl (4R)-2,2-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1,3-oxazolidine-3-carboxylate
CID 10758741
(4S)-3-[(Z,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101348788
3-[(Z)-[(2S,5R)-5-methyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
CID 125508766
3-[(E)-2-[dimethyl(phenyl)silyl]-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 132504006
5-Benzhydrylidene-3-propan-2-yl-1,3-oxazolidin-2-one
CID 134847017
tert-butyl (4S)-2,2-dimethyl-4-(3-phenylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate
CID 134901412

Frequently Asked Questions

What is the IUPAC name of 3-[2-bis(4-methylphenyl)phosphanylethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-bis(4-methylphenyl)phosphanylethyl]-1,3-oxazolidin-2-one (CID 176630237) is 3-[2-bis(4-methylphenyl)phosphanylethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-bis(4-methylphenyl)phosphanylethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-bis(4-methylphenyl)phosphanylethyl]-1,3-oxazolidin-2-one is Cc1ccc(P(CCN2CCOC2=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 3-[2-bis(4-methylphenyl)phosphanylethyl]-1,3-oxazolidin-2-one?
The InChIKey is OEPNNEZABWENAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22NO2P/c1-15-3-7-17(8-4-15)23(18-9-5-16(2)6-10-18)14-12-20-11-13-22-19(20)21/h3-10H,11-14H2,1-2H3.
What are the key properties of 3-[2-bis(4-methylphenyl)phosphanylethyl]-1,3-oxazolidin-2-one?
3-[2-bis(4-methylphenyl)phosphanylethyl]-1,3-oxazolidin-2-one has a molecular weight of 327.36 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-bis(4-methylphenyl)phosphanylethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 176630237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).