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

C16H15F2N2O3P — CID 162658488

IUPAC2-[5-(difluoromethyl)-3-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole
SMILESCCP(=O)(OC)c1ccc2oc(-c3cncc(C(F)F)c3)nc2c1
InChIInChI=1S/C16H15F2N2O3P/c1-3-24(21,22-2)12-4-5-14-13(7-12)20-16(23-14)11-6-10(15(17)18)8-19-9-11/h4-9,15H,3H2,1-2H3
InChIKeyVNJVSYDFARJCBK-UHFFFAOYSA-N
MW352.28 g/mol
LogP4.40
Rot. Bonds5

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

2-[5-(difluoromethyl)-3-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole (PubChem CID 162658488) has the molecular formula C16H15F2N2O3P and a molecular weight of 352.28 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-3-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-3-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole
PubChem CID162658488
Molecular FormulaC16H15F2N2O3P
Molecular Weight352.28 g/mol
Exact Mass352.08
IUPAC Name2-[5-(difluoromethyl)-3-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole
SMILESCCP(=O)(OC)c1ccc2oc(-c3cncc(C(F)F)c3)nc2c1
InChIInChI=1S/C16H15F2N2O3P/c1-3-24(21,22-2)12-4-5-14-13(7-12)20-16(23-14)11-6-10(15(17)18)8-19-9-11/h4-9,15H,3H2,1-2H3
InChIKeyVNJVSYDFARJCBK-UHFFFAOYSA-N
XLogP4.40
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 54.40
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 2-[5-(difluoromethyl)-3-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole?
The IUPAC name of 2-[5-(difluoromethyl)-3-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole (CID 162658488) is 2-[5-(difluoromethyl)-3-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole.
What is the SMILES notation for 2-[5-(difluoromethyl)-3-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole?
The canonical SMILES for 2-[5-(difluoromethyl)-3-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole is CCP(=O)(OC)c1ccc2oc(-c3cncc(C(F)F)c3)nc2c1.
What is the InChIKey of 2-[5-(difluoromethyl)-3-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole?
The InChIKey is VNJVSYDFARJCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N2O3P/c1-3-24(21,22-2)12-4-5-14-13(7-12)20-16(23-14)11-6-10(15(17)18)8-19-9-11/h4-9,15H,3H2,1-2H3.
What are the key properties of 2-[5-(difluoromethyl)-3-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole?
2-[5-(difluoromethyl)-3-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole has a molecular weight of 352.28 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-3-pyridinyl]-5-[ethyl(methoxy)phosphoryl]-1,3-benzoxazole is sourced from PubChem (CID 162658488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).