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

C22H20NOP — CID 86075673

IUPAC[2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane
SMILESCC1CN=C(c2ccccc2P(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C22H20NOP/c1-17-16-23-22(24-17)20-14-8-9-15-21(20)25(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3
InChIKeyAASQFXTYKATSHA-UHFFFAOYSA-N
MW345.38 g/mol
LogP3.61
Rot. Bonds4

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

[2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane (PubChem CID 86075673) has the molecular formula C22H20NOP and a molecular weight of 345.38 g/mol. Its IUPAC name is [2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane
PubChem CID86075673
Molecular FormulaC22H20NOP
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name[2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane
SMILESCC1CN=C(c2ccccc2P(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C22H20NOP/c1-17-16-23-22(24-17)20-14-8-9-15-21(20)25(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3
InChIKeyAASQFXTYKATSHA-UHFFFAOYSA-N
XLogP3.61
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 53.61
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

2-Phenyl-2-oxazoline
CID 244030
Mls002667700
CID 244135
(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
(5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 10911168
Ethylamine, 2-(diphenylmethoxy)-N-(ethoxymethylene)-
CID 58344
Oxazole, 4,5-dihydro-5-(iodomethyl)-2-phenyl-
CID 11845181
(4S)-2-(2-(Diphenylphosphino)phenyl)-4-isopropyl-1,3-oxazoline
CID 9807779
(4R)-2-[2-[Bis[4-(trifluoromethyl)phenyl]phosphino]-5-(trifluoromethyl)phenyl]-4-(1,1-dimethylethyl)-4,5-dihydrooxazole
CID 24778094
(S)-2-(2-(bis(4-(Trifluoromethyl)phenyl)phosphino)-5-(trifluoromethyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole
CID 44543553
2-Phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole
CID 356840

Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane?
The IUPAC name of [2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane (CID 86075673) is [2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane.
What is the SMILES notation for [2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane?
The canonical SMILES for [2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane is CC1CN=C(c2ccccc2P(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of [2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane?
The InChIKey is AASQFXTYKATSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20NOP/c1-17-16-23-22(24-17)20-14-8-9-15-21(20)25(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3.
What are the key properties of [2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane?
[2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane has a molecular weight of 345.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane is sourced from PubChem (CID 86075673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).