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

C22H18ClN2O2P — CID 2834305

IUPAC2-(2-chlorophenyl)-4-diphenylphosphoryl-N-methyl-1,3-oxazol-5-amine
SMILESCNc1oc(-c2ccccc2Cl)nc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18ClN2O2P/c1-24-21-22(25-20(27-21)18-14-8-9-15-19(18)23)28(26,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,24H,1H3
InChIKeyWUWDUFLAAPSZLL-UHFFFAOYSA-N
MW408.83 g/mol
LogP4.68
Rot. Bonds5

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

2-(2-chlorophenyl)-4-diphenylphosphoryl-N-methyl-1,3-oxazol-5-amine (PubChem CID 2834305) has the molecular formula C22H18ClN2O2P and a molecular weight of 408.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-diphenylphosphoryl-N-methyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-diphenylphosphoryl-N-methyl-1,3-oxazol-5-amine
PubChem CID2834305
Molecular FormulaC22H18ClN2O2P
Molecular Weight408.83 g/mol
Exact Mass408.08
IUPAC Name2-(2-chlorophenyl)-4-diphenylphosphoryl-N-methyl-1,3-oxazol-5-amine
SMILESCNc1oc(-c2ccccc2Cl)nc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18ClN2O2P/c1-24-21-22(25-20(27-21)18-14-8-9-15-19(18)23)28(26,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,24H,1H3
InChIKeyWUWDUFLAAPSZLL-UHFFFAOYSA-N
XLogP4.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.83
LogP ≤ 54.68
H-Bond Donors ≤ 51
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-methyl-1,3-oxazol-5-amine?
The IUPAC name of 2-(2-chlorophenyl)-4-diphenylphosphoryl-N-methyl-1,3-oxazol-5-amine (CID 2834305) is 2-(2-chlorophenyl)-4-diphenylphosphoryl-N-methyl-1,3-oxazol-5-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-diphenylphosphoryl-N-methyl-1,3-oxazol-5-amine?
The canonical SMILES for 2-(2-chlorophenyl)-4-diphenylphosphoryl-N-methyl-1,3-oxazol-5-amine is CNc1oc(-c2ccccc2Cl)nc1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-chlorophenyl)-4-diphenylphosphoryl-N-methyl-1,3-oxazol-5-amine?
The InChIKey is WUWDUFLAAPSZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN2O2P/c1-24-21-22(25-20(27-21)18-14-8-9-15-19(18)23)28(26,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,24H,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-diphenylphosphoryl-N-methyl-1,3-oxazol-5-amine?
2-(2-chlorophenyl)-4-diphenylphosphoryl-N-methyl-1,3-oxazol-5-amine has a molecular weight of 408.83 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-diphenylphosphoryl-N-methyl-1,3-oxazol-5-amine is sourced from PubChem (CID 2834305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).