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

C17H17N2O2P — CID 21179104

IUPAC4-diphenylphosphoryl-N,2-dimethyl-1,3-oxazol-5-amine
SMILESCNc1oc(C)nc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N2O2P/c1-13-19-17(16(18-2)21-13)22(20,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,18H,1-2H3
InChIKeyQWCARVOQNTXLKT-UHFFFAOYSA-N
MW312.31 g/mol
LogP2.66
Rot. Bonds4

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

4-diphenylphosphoryl-N,2-dimethyl-1,3-oxazol-5-amine (PubChem CID 21179104) has the molecular formula C17H17N2O2P and a molecular weight of 312.31 g/mol. Its IUPAC name is 4-diphenylphosphoryl-N,2-dimethyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-diphenylphosphoryl-N,2-dimethyl-1,3-oxazol-5-amine
PubChem CID21179104
Molecular FormulaC17H17N2O2P
Molecular Weight312.31 g/mol
Exact Mass312.10
IUPAC Name4-diphenylphosphoryl-N,2-dimethyl-1,3-oxazol-5-amine
SMILESCNc1oc(C)nc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N2O2P/c1-13-19-17(16(18-2)21-13)22(20,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,18H,1-2H3
InChIKeyQWCARVOQNTXLKT-UHFFFAOYSA-N
XLogP2.66
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
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,N,2-trimethyl-1,3-oxazol-5-amine
CID 21179105
4-diphenylphosphoryl-2-methyl-5-piperidin-1-yl-1,3-oxazole
CID 21179106
4-(4-diphenylphosphoryl-2-methyl-1,3-oxazol-5-yl)morpholine
CID 2887281
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
diphenylphosphorylbenzene;terbium
CID 86595283
N-diphenylphosphoryl-6-methylpyridin-2-amine
CID 832984
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
1-[2-methyl-5-(methylamino)-1,3-oxazol-4-yl]ethanone
CID 90440075

Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphoryl-N,2-dimethyl-1,3-oxazol-5-amine?
The IUPAC name of 4-diphenylphosphoryl-N,2-dimethyl-1,3-oxazol-5-amine (CID 21179104) is 4-diphenylphosphoryl-N,2-dimethyl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-diphenylphosphoryl-N,2-dimethyl-1,3-oxazol-5-amine?
The canonical SMILES for 4-diphenylphosphoryl-N,2-dimethyl-1,3-oxazol-5-amine is CNc1oc(C)nc1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-diphenylphosphoryl-N,2-dimethyl-1,3-oxazol-5-amine?
The InChIKey is QWCARVOQNTXLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N2O2P/c1-13-19-17(16(18-2)21-13)22(20,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,18H,1-2H3.
What are the key properties of 4-diphenylphosphoryl-N,2-dimethyl-1,3-oxazol-5-amine?
4-diphenylphosphoryl-N,2-dimethyl-1,3-oxazol-5-amine has a molecular weight of 312.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphoryl-N,2-dimethyl-1,3-oxazol-5-amine is sourced from PubChem (CID 21179104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).