5-[ethyl(methoxy)phosphoryl]-2-(4-fluorophenyl)-1,3-benzoxazole

C16H15FNO3P — CID 154699445

IUPAC5-[ethyl(methoxy)phosphoryl]-2-(4-fluorophenyl)-1,3-benzoxazole
SMILESCCP(=O)(OC)c1ccc2oc(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C16H15FNO3P/c1-3-22(19,20-2)13-8-9-15-14(10-13)18-16(21-15)11-4-6-12(17)7-5-11/h4-10H,3H2,1-2H3
InChIKeyMNCZMYLRBLYUPR-UHFFFAOYSA-N
MW319.27 g/mol
LogP4.20
Rot. Bonds4

About 5-[ethyl(methoxy)phosphoryl]-2-(4-fluorophenyl)-1,3-benzoxazole

5-[ethyl(methoxy)phosphoryl]-2-(4-fluorophenyl)-1,3-benzoxazole (PubChem CID 154699445) has the molecular formula C16H15FNO3P and a molecular weight of 319.27 g/mol. Its IUPAC name is 5-[ethyl(methoxy)phosphoryl]-2-(4-fluorophenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-[ethyl(methoxy)phosphoryl]-2-(4-fluorophenyl)-1,3-benzoxazole
PubChem CID154699445
Molecular FormulaC16H15FNO3P
Molecular Weight319.27 g/mol
Exact Mass319.08
IUPAC Name5-[ethyl(methoxy)phosphoryl]-2-(4-fluorophenyl)-1,3-benzoxazole
SMILESCCP(=O)(OC)c1ccc2oc(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C16H15FNO3P/c1-3-22(19,20-2)13-8-9-15-14(10-13)18-16(21-15)11-4-6-12(17)7-5-11/h4-10H,3H2,1-2H3
InChIKeyMNCZMYLRBLYUPR-UHFFFAOYSA-N
XLogP4.20
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 54.20
H-Bond Donors ≤ 50
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 5-[ethyl(methoxy)phosphoryl]-2-(4-fluorophenyl)-1,3-benzoxazole?
The IUPAC name of 5-[ethyl(methoxy)phosphoryl]-2-(4-fluorophenyl)-1,3-benzoxazole (CID 154699445) is 5-[ethyl(methoxy)phosphoryl]-2-(4-fluorophenyl)-1,3-benzoxazole.
What is the SMILES notation for 5-[ethyl(methoxy)phosphoryl]-2-(4-fluorophenyl)-1,3-benzoxazole?
The canonical SMILES for 5-[ethyl(methoxy)phosphoryl]-2-(4-fluorophenyl)-1,3-benzoxazole is CCP(=O)(OC)c1ccc2oc(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 5-[ethyl(methoxy)phosphoryl]-2-(4-fluorophenyl)-1,3-benzoxazole?
The InChIKey is MNCZMYLRBLYUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FNO3P/c1-3-22(19,20-2)13-8-9-15-14(10-13)18-16(21-15)11-4-6-12(17)7-5-11/h4-10H,3H2,1-2H3.
What are the key properties of 5-[ethyl(methoxy)phosphoryl]-2-(4-fluorophenyl)-1,3-benzoxazole?
5-[ethyl(methoxy)phosphoryl]-2-(4-fluorophenyl)-1,3-benzoxazole has a molecular weight of 319.27 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(methoxy)phosphoryl]-2-(4-fluorophenyl)-1,3-benzoxazole is sourced from PubChem (CID 154699445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).