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

C22H18ClN2O2P — CID 3962842

IUPAC2-(4-chlorophenyl)-4-diphenylphosphoryl-N-methyl-1,3-oxazol-5-amine
SMILESCNc1oc(-c2ccc(Cl)cc2)nc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18ClN2O2P/c1-24-21-22(25-20(27-21)16-12-14-17(23)15-13-16)28(26,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,24H,1H3
InChIKeyCCQIQGXVQVCHEG-UHFFFAOYSA-N
MW408.83 g/mol
LogP4.68
Rot. Bonds5

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

2-(4-chlorophenyl)-4-diphenylphosphoryl-N-methyl-1,3-oxazol-5-amine (PubChem CID 3962842) has the molecular formula C22H18ClN2O2P and a molecular weight of 408.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-diphenylphosphoryl-N-methyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-diphenylphosphoryl-N-methyl-1,3-oxazol-5-amine
PubChem CID3962842
Molecular FormulaC22H18ClN2O2P
Molecular Weight408.83 g/mol
Exact Mass408.08
IUPAC Name2-(4-chlorophenyl)-4-diphenylphosphoryl-N-methyl-1,3-oxazol-5-amine
SMILESCNc1oc(-c2ccc(Cl)cc2)nc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18ClN2O2P/c1-24-21-22(25-20(27-21)16-12-14-17(23)15-13-16)28(26,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,24H,1H3
InChIKeyCCQIQGXVQVCHEG-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-(4-chlorophenyl)-4-diphenylphosphoryl-N-methyl-1,3-oxazol-5-amine?
The IUPAC name of 2-(4-chlorophenyl)-4-diphenylphosphoryl-N-methyl-1,3-oxazol-5-amine (CID 3962842) is 2-(4-chlorophenyl)-4-diphenylphosphoryl-N-methyl-1,3-oxazol-5-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-diphenylphosphoryl-N-methyl-1,3-oxazol-5-amine?
The canonical SMILES for 2-(4-chlorophenyl)-4-diphenylphosphoryl-N-methyl-1,3-oxazol-5-amine is CNc1oc(-c2ccc(Cl)cc2)nc1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-diphenylphosphoryl-N-methyl-1,3-oxazol-5-amine?
The InChIKey is CCQIQGXVQVCHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN2O2P/c1-24-21-22(25-20(27-21)16-12-14-17(23)15-13-16)28(26,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,24H,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-diphenylphosphoryl-N-methyl-1,3-oxazol-5-amine?
2-(4-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-(4-chlorophenyl)-4-diphenylphosphoryl-N-methyl-1,3-oxazol-5-amine is sourced from PubChem (CID 3962842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).