4-diphenylphosphoryl-N,N,2-trimethyl-1,3-oxazol-5-amine

C18H19N2O2P — CID 21179105

IUPAC4-diphenylphosphoryl-N,N,2-trimethyl-1,3-oxazol-5-amine
SMILESCc1nc(P(=O)(c2ccccc2)c2ccccc2)c(N(C)C)o1
InChIInChI=1S/C18H19N2O2P/c1-14-19-17(18(22-14)20(2)3)23(21,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,1-3H3
InChIKeyIIRJEOWGSSEGDL-UHFFFAOYSA-N
MW326.34 g/mol
LogP2.69
Rot. Bonds4

About 4-diphenylphosphoryl-N,N,2-trimethyl-1,3-oxazol-5-amine

4-diphenylphosphoryl-N,N,2-trimethyl-1,3-oxazol-5-amine (PubChem CID 21179105) has the molecular formula C18H19N2O2P and a molecular weight of 326.34 g/mol. Its IUPAC name is 4-diphenylphosphoryl-N,N,2-trimethyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-diphenylphosphoryl-N,N,2-trimethyl-1,3-oxazol-5-amine
PubChem CID21179105
Molecular FormulaC18H19N2O2P
Molecular Weight326.34 g/mol
Exact Mass326.12
IUPAC Name4-diphenylphosphoryl-N,N,2-trimethyl-1,3-oxazol-5-amine
SMILESCc1nc(P(=O)(c2ccccc2)c2ccccc2)c(N(C)C)o1
InChIInChI=1S/C18H19N2O2P/c1-14-19-17(18(22-14)20(2)3)23(21,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,1-3H3
InChIKeyIIRJEOWGSSEGDL-UHFFFAOYSA-N
XLogP2.69
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-diphenylphosphoryl-5-ethyl-2-methyl-1,3-oxazole
CID 101350621
4-diphenylphosphoryl-N,2-dimethyl-1,3-oxazol-5-amine
CID 21179104
4-diphenylphosphoryl-2-methyl-5-piperidin-1-yl-1,3-oxazole
CID 21179106
4-diphenylphosphoryl-5-methyl-2-phenyl-1,3-oxazole
CID 11078866
4,8-bis(4-diphenylphosphorylphenyl)-2,6-dimethyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 122207844
4-[ethoxy(phenyl)phosphoryl]-2-(4-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine
CID 21179121
[5-(dimethylamino)-2-methyl-1,3-oxazol-4-yl]-triphenylphosphanium;perchloric acid
CID 126959218
N,2,4-trimethyl-N-phenyl-1,3-oxazole-5-carboxamide
CID 110684871
diphenylphosphorylbenzene;oxirene
CID 174881764
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
4-[4-diphenylphosphoryl-2-(2-methylphenyl)-1,3-oxazol-5-yl]morpholine
CID 5133492
2,6-bis(diphenylphosphoryl)pyridine;hydrate
CID 139170088

Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphoryl-N,N,2-trimethyl-1,3-oxazol-5-amine?
The IUPAC name of 4-diphenylphosphoryl-N,N,2-trimethyl-1,3-oxazol-5-amine (CID 21179105) is 4-diphenylphosphoryl-N,N,2-trimethyl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-diphenylphosphoryl-N,N,2-trimethyl-1,3-oxazol-5-amine?
The canonical SMILES for 4-diphenylphosphoryl-N,N,2-trimethyl-1,3-oxazol-5-amine is Cc1nc(P(=O)(c2ccccc2)c2ccccc2)c(N(C)C)o1.
What is the InChIKey of 4-diphenylphosphoryl-N,N,2-trimethyl-1,3-oxazol-5-amine?
The InChIKey is IIRJEOWGSSEGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N2O2P/c1-14-19-17(18(22-14)20(2)3)23(21,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,1-3H3.
What are the key properties of 4-diphenylphosphoryl-N,N,2-trimethyl-1,3-oxazol-5-amine?
4-diphenylphosphoryl-N,N,2-trimethyl-1,3-oxazol-5-amine has a molecular weight of 326.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphoryl-N,N,2-trimethyl-1,3-oxazol-5-amine is sourced from PubChem (CID 21179105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).