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

C24H26NOP — CID 177145827

IUPAC[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;propane
SMILESCCC.c1ccc(P(c2ccccc2)c2ccccc2C2=NCCO2)cc1
InChIInChI=1S/C21H18NOP.C3H8/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;1-3-2/h1-14H,15-16H2;3H2,1-2H3
InChIKeyIDYNNJLINHGUII-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.64
Rot. Bonds4

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

[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;propane (PubChem CID 177145827) has the molecular formula C24H26NOP and a molecular weight of 375.45 g/mol. Its IUPAC name is [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;propane.

Molecular Properties

Compound Name[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;propane
PubChem CID177145827
Molecular FormulaC24H26NOP
Molecular Weight375.45 g/mol
Exact Mass375.18
IUPAC Name[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;propane
SMILESCCC.c1ccc(P(c2ccccc2)c2ccccc2C2=NCCO2)cc1
InChIInChI=1S/C21H18NOP.C3H8/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;1-3-2/h1-14H,15-16H2;3H2,1-2H3
InChIKeyIDYNNJLINHGUII-UHFFFAOYSA-N
XLogP4.64
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.64
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;propane?
The IUPAC name of [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;propane (CID 177145827) is [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;propane.
What is the SMILES notation for [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;propane?
The canonical SMILES for [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;propane is CCC.c1ccc(P(c2ccccc2)c2ccccc2C2=NCCO2)cc1.
What is the InChIKey of [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;propane?
The InChIKey is IDYNNJLINHGUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18NOP.C3H8/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;1-3-2/h1-14H,15-16H2;3H2,1-2H3.
What are the key properties of [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;propane?
[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;propane has a molecular weight of 375.45 g/mol, XLogP of 4.64, 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;propane is sourced from PubChem (CID 177145827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).