5-[ethyl(methoxy)phosphoryl]-2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole

C16H14F3N2O3P — CID 162657905

IUPAC5-[ethyl(methoxy)phosphoryl]-2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole
SMILESCCP(=O)(OC)c1ccc2oc(-c3cncc(C(F)(F)F)c3)nc2c1
InChIInChI=1S/C16H14F3N2O3P/c1-3-25(22,23-2)12-4-5-14-13(7-12)21-15(24-14)10-6-11(9-20-8-10)16(17,18)19/h4-9H,3H2,1-2H3
InChIKeyVPHLZQJGDODHIE-UHFFFAOYSA-N
MW370.27 g/mol
LogP4.48
Rot. Bonds4

About 5-[ethyl(methoxy)phosphoryl]-2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole

5-[ethyl(methoxy)phosphoryl]-2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole (PubChem CID 162657905) has the molecular formula C16H14F3N2O3P and a molecular weight of 370.27 g/mol. Its IUPAC name is 5-[ethyl(methoxy)phosphoryl]-2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-[ethyl(methoxy)phosphoryl]-2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole
PubChem CID162657905
Molecular FormulaC16H14F3N2O3P
Molecular Weight370.27 g/mol
Exact Mass370.07
IUPAC Name5-[ethyl(methoxy)phosphoryl]-2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole
SMILESCCP(=O)(OC)c1ccc2oc(-c3cncc(C(F)(F)F)c3)nc2c1
InChIInChI=1S/C16H14F3N2O3P/c1-3-25(22,23-2)12-4-5-14-13(7-12)21-15(24-14)10-6-11(9-20-8-10)16(17,18)19/h4-9H,3H2,1-2H3
InChIKeyVPHLZQJGDODHIE-UHFFFAOYSA-N
XLogP4.48
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole?
The IUPAC name of 5-[ethyl(methoxy)phosphoryl]-2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole (CID 162657905) is 5-[ethyl(methoxy)phosphoryl]-2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole.
What is the SMILES notation for 5-[ethyl(methoxy)phosphoryl]-2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole?
The canonical SMILES for 5-[ethyl(methoxy)phosphoryl]-2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole is CCP(=O)(OC)c1ccc2oc(-c3cncc(C(F)(F)F)c3)nc2c1.
What is the InChIKey of 5-[ethyl(methoxy)phosphoryl]-2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole?
The InChIKey is VPHLZQJGDODHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N2O3P/c1-3-25(22,23-2)12-4-5-14-13(7-12)21-15(24-14)10-6-11(9-20-8-10)16(17,18)19/h4-9H,3H2,1-2H3.
What are the key properties of 5-[ethyl(methoxy)phosphoryl]-2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole?
5-[ethyl(methoxy)phosphoryl]-2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole has a molecular weight of 370.27 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(methoxy)phosphoryl]-2-[5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole is sourced from PubChem (CID 162657905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).