[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;ethane

C25H30NOP — CID 143467946

IUPAC[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;ethane
SMILESCC.CC.c1ccc(P(c2ccccc2)c2ccccc2C2=NCCO2)cc1
InChIInChI=1S/C21H18NOP.2C2H6/c1-3-9-17(10-4-1)24(18-11-5-2-6-12-18)20-14-8-7-13-19(20)21-22-15-16-23-21;2*1-2/h1-14H,15-16H2;2*1-2H3
InChIKeyGPOZNHQCBOVTLI-UHFFFAOYSA-N
MW391.50 g/mol
LogP5.27
Rot. Bonds4

About [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;ethane

[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;ethane (PubChem CID 143467946) has the molecular formula C25H30NOP and a molecular weight of 391.50 g/mol. Its IUPAC name is [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;ethane.

Molecular Properties

Compound Name[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;ethane
PubChem CID143467946
Molecular FormulaC25H30NOP
Molecular Weight391.50 g/mol
Exact Mass391.21
IUPAC Name[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;ethane
SMILESCC.CC.c1ccc(P(c2ccccc2)c2ccccc2C2=NCCO2)cc1
InChIInChI=1S/C21H18NOP.2C2H6/c1-3-9-17(10-4-1)24(18-11-5-2-6-12-18)20-14-8-7-13-19(20)21-22-15-16-23-21;2*1-2/h1-14H,15-16H2;2*1-2H3
InChIKeyGPOZNHQCBOVTLI-UHFFFAOYSA-N
XLogP5.27
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.50
LogP ≤ 55.27
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

4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
2-Phenyl-5,6-dihydro-4H-1,3-oxazine
CID 293673
2-Phenyl-2-oxazoline
CID 244030
Mls002667700
CID 244135
2-(4-Methylphenyl)oxazoline
CID 3770227
(4R)-2-(2-(Diphenylphosphanyl)phenyl)-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole
CID 2734144
(S)-t-BuPHOX
CID 9937955
(4S)-2-(2-(Diphenylphosphanyl)phenyl)-5,5-dimethyl-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole
CID 71310816
2-(4-Butylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519396
2-(4-Decylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519401
(5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 10911168
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895

Frequently Asked Questions

What is the IUPAC name of [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;ethane?
The IUPAC name of [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;ethane (CID 143467946) is [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;ethane.
What is the SMILES notation for [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;ethane?
The canonical SMILES for [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;ethane is CC.CC.c1ccc(P(c2ccccc2)c2ccccc2C2=NCCO2)cc1.
What is the InChIKey of [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;ethane?
The InChIKey is GPOZNHQCBOVTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18NOP.2C2H6/c1-3-9-17(10-4-1)24(18-11-5-2-6-12-18)20-14-8-7-13-19(20)21-22-15-16-23-21;2*1-2/h1-14H,15-16H2;2*1-2H3.
What are the key properties of [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;ethane?
[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;ethane has a molecular weight of 391.50 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;ethane is sourced from PubChem (CID 143467946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).