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

C16H15F2N2O4P — CID 162674258

IUPAC2-[2-(difluoromethoxy)-4-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole
SMILESCCP(=O)(OC)c1ccc2oc(-c3ccnc(OC(F)F)c3)nc2c1
InChIInChI=1S/C16H15F2N2O4P/c1-3-25(21,22-2)11-4-5-13-12(9-11)20-15(23-13)10-6-7-19-14(8-10)24-16(17)18/h4-9,16H,3H2,1-2H3
InChIKeyXWLQZIWKAASSDY-UHFFFAOYSA-N
MW368.28 g/mol
LogP4.06
Rot. Bonds6

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

2-[2-(difluoromethoxy)-4-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole (PubChem CID 162674258) has the molecular formula C16H15F2N2O4P and a molecular weight of 368.28 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)-4-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)-4-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole
PubChem CID162674258
Molecular FormulaC16H15F2N2O4P
Molecular Weight368.28 g/mol
Exact Mass368.07
IUPAC Name2-[2-(difluoromethoxy)-4-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole
SMILESCCP(=O)(OC)c1ccc2oc(-c3ccnc(OC(F)F)c3)nc2c1
InChIInChI=1S/C16H15F2N2O4P/c1-3-25(21,22-2)11-4-5-13-12(9-11)20-15(23-13)10-6-7-19-14(8-10)24-16(17)18/h4-9,16H,3H2,1-2H3
InChIKeyXWLQZIWKAASSDY-UHFFFAOYSA-N
XLogP4.06
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)-4-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole?
The IUPAC name of 2-[2-(difluoromethoxy)-4-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole (CID 162674258) is 2-[2-(difluoromethoxy)-4-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole.
What is the SMILES notation for 2-[2-(difluoromethoxy)-4-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole?
The canonical SMILES for 2-[2-(difluoromethoxy)-4-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole is CCP(=O)(OC)c1ccc2oc(-c3ccnc(OC(F)F)c3)nc2c1.
What is the InChIKey of 2-[2-(difluoromethoxy)-4-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole?
The InChIKey is XWLQZIWKAASSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N2O4P/c1-3-25(21,22-2)11-4-5-13-12(9-11)20-15(23-13)10-6-7-19-14(8-10)24-16(17)18/h4-9,16H,3H2,1-2H3.
What are the key properties of 2-[2-(difluoromethoxy)-4-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole?
2-[2-(difluoromethoxy)-4-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole has a molecular weight of 368.28 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)-4-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole is sourced from PubChem (CID 162674258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).