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

C22H20NOP — CID 12971293

IUPAC[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
SMILESC[C@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C22H20NOP/c1-17-16-24-22(23-17)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/t17-/m0/s1
InChIKeyLPALMDOOEDKULS-KRWDZBQOSA-N
MW345.38 g/mol
LogP3.61
Rot. Bonds4

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

[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane (PubChem CID 12971293) has the molecular formula C22H20NOP and a molecular weight of 345.38 g/mol. Its IUPAC name is [2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
PubChem CID12971293
Molecular FormulaC22H20NOP
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
SMILESC[C@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C22H20NOP/c1-17-16-24-22(23-17)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/t17-/m0/s1
InChIKeyLPALMDOOEDKULS-KRWDZBQOSA-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane?
The IUPAC name of [2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane (CID 12971293) is [2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane.
What is the SMILES notation for [2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane?
The canonical SMILES for [2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane is C[C@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of [2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane?
The InChIKey is LPALMDOOEDKULS-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H20NOP/c1-17-16-24-22(23-17)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/t17-/m0/s1.
What are the key properties of [2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane?
[2-[(4S)-4-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-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane is sourced from PubChem (CID 12971293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).