4-[ethoxy(phenyl)phosphoryl]-2-(4-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine

C19H20FN2O3P — CID 21179121

IUPAC4-[ethoxy(phenyl)phosphoryl]-2-(4-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine
SMILESCCOP(=O)(c1ccccc1)c1nc(-c2ccc(F)cc2)oc1N(C)C
InChIInChI=1S/C19H20FN2O3P/c1-4-24-26(23,16-8-6-5-7-9-16)18-19(22(2)3)25-17(21-18)14-10-12-15(20)13-11-14/h5-13H,4H2,1-3H3
InChIKeyJHUMKOHZVHFQFX-UHFFFAOYSA-N
MW374.35 g/mol
LogP3.81
Rot. Bonds6

About 4-[ethoxy(phenyl)phosphoryl]-2-(4-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine

4-[ethoxy(phenyl)phosphoryl]-2-(4-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine (PubChem CID 21179121) has the molecular formula C19H20FN2O3P and a molecular weight of 374.35 g/mol. Its IUPAC name is 4-[ethoxy(phenyl)phosphoryl]-2-(4-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-[ethoxy(phenyl)phosphoryl]-2-(4-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine
PubChem CID21179121
Molecular FormulaC19H20FN2O3P
Molecular Weight374.35 g/mol
Exact Mass374.12
IUPAC Name4-[ethoxy(phenyl)phosphoryl]-2-(4-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine
SMILESCCOP(=O)(c1ccccc1)c1nc(-c2ccc(F)cc2)oc1N(C)C
InChIInChI=1S/C19H20FN2O3P/c1-4-24-26(23,16-8-6-5-7-9-16)18-19(22(2)3)25-17(21-18)14-10-12-15(20)13-11-14/h5-13H,4H2,1-3H3
InChIKeyJHUMKOHZVHFQFX-UHFFFAOYSA-N
XLogP3.81
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene
CID 162415122
4-diphenylphosphoryl-N,N,2-trimethyl-1,3-oxazol-5-amine
CID 21179105
(R)-[ethoxy(phenyl)phosphoryl]-(4-fluorophenyl)methanol
CID 11860165
4-diphenylphosphoryl-5-methyl-2-phenyl-1,3-oxazole
CID 11078866
N-ethyl-5-(4-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110392696
1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
1-diethoxyphosphoryl-2-[ethoxy(phenyl)phosphoryl]benzene
CID 12651419
2-(4-tert-butylphenyl)-4-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,3-oxazol-5-amine
CID 18889884
[[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene
CID 10449767
4-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine
CID 18825777
(1R)-1-(4-fluorophenyl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-phenylmethanamine
CID 30943877
2-[ethoxy-(4-fluorophenyl)phosphoryl]isoindole-1,3-dione
CID 132541888

Frequently Asked Questions

What is the IUPAC name of 4-[ethoxy(phenyl)phosphoryl]-2-(4-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine?
The IUPAC name of 4-[ethoxy(phenyl)phosphoryl]-2-(4-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine (CID 21179121) is 4-[ethoxy(phenyl)phosphoryl]-2-(4-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-[ethoxy(phenyl)phosphoryl]-2-(4-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine?
The canonical SMILES for 4-[ethoxy(phenyl)phosphoryl]-2-(4-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine is CCOP(=O)(c1ccccc1)c1nc(-c2ccc(F)cc2)oc1N(C)C.
What is the InChIKey of 4-[ethoxy(phenyl)phosphoryl]-2-(4-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine?
The InChIKey is JHUMKOHZVHFQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN2O3P/c1-4-24-26(23,16-8-6-5-7-9-16)18-19(22(2)3)25-17(21-18)14-10-12-15(20)13-11-14/h5-13H,4H2,1-3H3.
What are the key properties of 4-[ethoxy(phenyl)phosphoryl]-2-(4-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine?
4-[ethoxy(phenyl)phosphoryl]-2-(4-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine has a molecular weight of 374.35 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethoxy(phenyl)phosphoryl]-2-(4-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine is sourced from PubChem (CID 21179121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).