1-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-N-methoxy-1-phenylmethanimine

C17H11ClF3N3O2 — CID 1473749

IUPAC1-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-N-methoxy-1-phenylmethanimine
SMILESCON=C(c1ccccc1)c1cc(-c2ncc(C(F)(F)F)cc2Cl)no1
InChIInChI=1S/C17H11ClF3N3O2/c1-25-24-15(10-5-3-2-4-6-10)14-8-13(23-26-14)16-12(18)7-11(9-22-16)17(19,20)21/h2-9H,1H3
InChIKeySXEWTOOENIXHKH-UHFFFAOYSA-N
MW381.74 g/mol
LogP4.81
Rot. Bonds4

About 1-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-N-methoxy-1-phenylmethanimine

1-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-N-methoxy-1-phenylmethanimine (PubChem CID 1473749) has the molecular formula C17H11ClF3N3O2 and a molecular weight of 381.74 g/mol. Its IUPAC name is 1-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-N-methoxy-1-phenylmethanimine.

Molecular Properties

Compound Name1-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-N-methoxy-1-phenylmethanimine
PubChem CID1473749
Molecular FormulaC17H11ClF3N3O2
Molecular Weight381.74 g/mol
Exact Mass381.05
IUPAC Name1-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-N-methoxy-1-phenylmethanimine
SMILESCON=C(c1ccccc1)c1cc(-c2ncc(C(F)(F)F)cc2Cl)no1
InChIInChI=1S/C17H11ClF3N3O2/c1-25-24-15(10-5-3-2-4-6-10)14-8-13(23-26-14)16-12(18)7-11(9-22-16)17(19,20)21/h2-9H,1H3
InChIKeySXEWTOOENIXHKH-UHFFFAOYSA-N
XLogP4.81
TPSA60.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.74
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-N-methoxy-1-phenylmethanimine?
The IUPAC name of 1-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-N-methoxy-1-phenylmethanimine (CID 1473749) is 1-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-N-methoxy-1-phenylmethanimine.
What is the SMILES notation for 1-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-N-methoxy-1-phenylmethanimine?
The canonical SMILES for 1-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-N-methoxy-1-phenylmethanimine is CON=C(c1ccccc1)c1cc(-c2ncc(C(F)(F)F)cc2Cl)no1.
What is the InChIKey of 1-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-N-methoxy-1-phenylmethanimine?
The InChIKey is SXEWTOOENIXHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O2/c1-25-24-15(10-5-3-2-4-6-10)14-8-13(23-26-14)16-12(18)7-11(9-22-16)17(19,20)21/h2-9H,1H3.
What are the key properties of 1-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-N-methoxy-1-phenylmethanimine?
1-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-N-methoxy-1-phenylmethanimine has a molecular weight of 381.74 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-N-methoxy-1-phenylmethanimine is sourced from PubChem (CID 1473749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).