2-(2-chlorophenyl)-4-diphenylphosphoryl-N,N-dimethyl-1,3-oxazol-5-amine

C23H20ClN2O2P — CID 4597240

IUPAC2-(2-chlorophenyl)-4-diphenylphosphoryl-N,N-dimethyl-1,3-oxazol-5-amine
SMILESCN(C)c1oc(-c2ccccc2Cl)nc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20ClN2O2P/c1-26(2)23-22(25-21(28-23)19-15-9-10-16-20(19)24)29(27,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16H,1-2H3
InChIKeyWVBGVKOFTVPUES-UHFFFAOYSA-N
MW422.85 g/mol
LogP4.70
Rot. Bonds5

About 2-(2-chlorophenyl)-4-diphenylphosphoryl-N,N-dimethyl-1,3-oxazol-5-amine

2-(2-chlorophenyl)-4-diphenylphosphoryl-N,N-dimethyl-1,3-oxazol-5-amine (PubChem CID 4597240) has the molecular formula C23H20ClN2O2P and a molecular weight of 422.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-diphenylphosphoryl-N,N-dimethyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-diphenylphosphoryl-N,N-dimethyl-1,3-oxazol-5-amine
PubChem CID4597240
Molecular FormulaC23H20ClN2O2P
Molecular Weight422.85 g/mol
Exact Mass422.10
IUPAC Name2-(2-chlorophenyl)-4-diphenylphosphoryl-N,N-dimethyl-1,3-oxazol-5-amine
SMILESCN(C)c1oc(-c2ccccc2Cl)nc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20ClN2O2P/c1-26(2)23-22(25-21(28-23)19-15-9-10-16-20(19)24)29(27,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16H,1-2H3
InChIKeyWVBGVKOFTVPUES-UHFFFAOYSA-N
XLogP4.70
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.85
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-diphenylphosphoryl-N,N-dimethyl-1,3-oxazol-5-amine?
The IUPAC name of 2-(2-chlorophenyl)-4-diphenylphosphoryl-N,N-dimethyl-1,3-oxazol-5-amine (CID 4597240) is 2-(2-chlorophenyl)-4-diphenylphosphoryl-N,N-dimethyl-1,3-oxazol-5-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-diphenylphosphoryl-N,N-dimethyl-1,3-oxazol-5-amine?
The canonical SMILES for 2-(2-chlorophenyl)-4-diphenylphosphoryl-N,N-dimethyl-1,3-oxazol-5-amine is CN(C)c1oc(-c2ccccc2Cl)nc1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-chlorophenyl)-4-diphenylphosphoryl-N,N-dimethyl-1,3-oxazol-5-amine?
The InChIKey is WVBGVKOFTVPUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN2O2P/c1-26(2)23-22(25-21(28-23)19-15-9-10-16-20(19)24)29(27,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16H,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-4-diphenylphosphoryl-N,N-dimethyl-1,3-oxazol-5-amine?
2-(2-chlorophenyl)-4-diphenylphosphoryl-N,N-dimethyl-1,3-oxazol-5-amine has a molecular weight of 422.85 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-diphenylphosphoryl-N,N-dimethyl-1,3-oxazol-5-amine is sourced from PubChem (CID 4597240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).