4-diphenylphosphoryl-5-ethyl-2-methyl-1,3-oxazole

C18H18NO2P — CID 101350621

IUPAC4-diphenylphosphoryl-5-ethyl-2-methyl-1,3-oxazole
SMILESCCc1oc(C)nc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18NO2P/c1-3-17-18(19-14(2)21-17)22(20,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3
InChIKeyZZFNPFVIRQOPPM-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.18
Rot. Bonds4

About 4-diphenylphosphoryl-5-ethyl-2-methyl-1,3-oxazole

4-diphenylphosphoryl-5-ethyl-2-methyl-1,3-oxazole (PubChem CID 101350621) has the molecular formula C18H18NO2P and a molecular weight of 311.32 g/mol. Its IUPAC name is 4-diphenylphosphoryl-5-ethyl-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-diphenylphosphoryl-5-ethyl-2-methyl-1,3-oxazole
PubChem CID101350621
Molecular FormulaC18H18NO2P
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name4-diphenylphosphoryl-5-ethyl-2-methyl-1,3-oxazole
SMILESCCc1oc(C)nc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18NO2P/c1-3-17-18(19-14(2)21-17)22(20,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3
InChIKeyZZFNPFVIRQOPPM-UHFFFAOYSA-N
XLogP3.18
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-diphenylphosphoryl-N,2-dimethyl-1,3-oxazol-5-amine
CID 21179104
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-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
diiodocobalt;bis(diphenylphosphorylbenzene)
CID 154702808
diphenylphosphorylbenzene;oxirene
CID 174881764
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
diiodovanadium;ethane;ethylbenzene;methanamine;2,4,5-trimethyl-1,3-oxazole
CID 159298437
5-butyl-2-methyl-4-phenyl-1,3-oxazole
CID 58626593

Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphoryl-5-ethyl-2-methyl-1,3-oxazole?
The IUPAC name of 4-diphenylphosphoryl-5-ethyl-2-methyl-1,3-oxazole (CID 101350621) is 4-diphenylphosphoryl-5-ethyl-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-diphenylphosphoryl-5-ethyl-2-methyl-1,3-oxazole?
The canonical SMILES for 4-diphenylphosphoryl-5-ethyl-2-methyl-1,3-oxazole is CCc1oc(C)nc1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-diphenylphosphoryl-5-ethyl-2-methyl-1,3-oxazole?
The InChIKey is ZZFNPFVIRQOPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18NO2P/c1-3-17-18(19-14(2)21-17)22(20,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3.
What are the key properties of 4-diphenylphosphoryl-5-ethyl-2-methyl-1,3-oxazole?
4-diphenylphosphoryl-5-ethyl-2-methyl-1,3-oxazole has a molecular weight of 311.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphoryl-5-ethyl-2-methyl-1,3-oxazole is sourced from PubChem (CID 101350621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).