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

C23H22NOP — CID 70877071

IUPAC(4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-diphenylphosphane
SMILESCC1N=C(CP(c2ccccc2)c2ccccc2)OC1c1ccccc1
InChIInChI=1S/C23H22NOP/c1-18-23(19-11-5-2-6-12-19)25-22(24-18)17-26(20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,23H,17H2,1H3
InChIKeyJMTSSOIFMMODEZ-UHFFFAOYSA-N
MW359.41 g/mol
LogP4.68
Rot. Bonds5

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

(4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-diphenylphosphane (PubChem CID 70877071) has the molecular formula C23H22NOP and a molecular weight of 359.41 g/mol. Its IUPAC name is (4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-diphenylphosphane.

Molecular Properties

Compound Name(4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-diphenylphosphane
PubChem CID70877071
Molecular FormulaC23H22NOP
Molecular Weight359.41 g/mol
Exact Mass359.14
IUPAC Name(4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-diphenylphosphane
SMILESCC1N=C(CP(c2ccccc2)c2ccccc2)OC1c1ccccc1
InChIInChI=1S/C23H22NOP/c1-18-23(19-11-5-2-6-12-19)25-22(24-18)17-26(20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,23H,17H2,1H3
InChIKeyJMTSSOIFMMODEZ-UHFFFAOYSA-N
XLogP4.68
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-diphenylphosphane?
The IUPAC name of (4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-diphenylphosphane (CID 70877071) is (4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-diphenylphosphane.
What is the SMILES notation for (4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-diphenylphosphane?
The canonical SMILES for (4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-diphenylphosphane is CC1N=C(CP(c2ccccc2)c2ccccc2)OC1c1ccccc1.
What is the InChIKey of (4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-diphenylphosphane?
The InChIKey is JMTSSOIFMMODEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22NOP/c1-18-23(19-11-5-2-6-12-19)25-22(24-18)17-26(20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,23H,17H2,1H3.
What are the key properties of (4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-diphenylphosphane?
(4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-diphenylphosphane has a molecular weight of 359.41 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl-diphenylphosphane is sourced from PubChem (CID 70877071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).