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

C18H20NOP — CID 102022239

IUPAC2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]ethyl-diphenylphosphane
SMILESCC1=N[C@@H](CCP(c2ccccc2)c2ccccc2)CO1
InChIInChI=1S/C18H20NOP/c1-15-19-16(14-20-15)12-13-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16H,12-14H2,1H3/t16-/m0/s1
InChIKeyJUHQRDIIMOTIHJ-INIZCTEOSA-N
MW297.34 g/mol
LogP3.33
Rot. Bonds5

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

2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]ethyl-diphenylphosphane (PubChem CID 102022239) has the molecular formula C18H20NOP and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]ethyl-diphenylphosphane.

Molecular Properties

Compound Name2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]ethyl-diphenylphosphane
PubChem CID102022239
Molecular FormulaC18H20NOP
Molecular Weight297.34 g/mol
Exact Mass297.13
IUPAC Name2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]ethyl-diphenylphosphane
SMILESCC1=N[C@@H](CCP(c2ccccc2)c2ccccc2)CO1
InChIInChI=1S/C18H20NOP/c1-15-19-16(14-20-15)12-13-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16H,12-14H2,1H3/t16-/m0/s1
InChIKeyJUHQRDIIMOTIHJ-INIZCTEOSA-N
XLogP3.33
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]ethyl-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)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]ethyl-diphenylphosphane?
The IUPAC name of 2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]ethyl-diphenylphosphane (CID 102022239) is 2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]ethyl-diphenylphosphane.
What is the SMILES notation for 2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]ethyl-diphenylphosphane?
The canonical SMILES for 2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]ethyl-diphenylphosphane is CC1=N[C@@H](CCP(c2ccccc2)c2ccccc2)CO1.
What is the InChIKey of 2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]ethyl-diphenylphosphane?
The InChIKey is JUHQRDIIMOTIHJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20NOP/c1-15-19-16(14-20-15)12-13-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16H,12-14H2,1H3/t16-/m0/s1.
What are the key properties of 2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]ethyl-diphenylphosphane?
2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]ethyl-diphenylphosphane has a molecular weight of 297.34 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]ethyl-diphenylphosphane is sourced from PubChem (CID 102022239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).