2-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-N-(1,2-oxazol-3-yloxy)ethenamine

C14H9F2N3O3 — CID 90990595

IUPAC2-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-N-(1,2-oxazol-3-yloxy)ethenamine
SMILESFc1ccc(-c2cc(C=CNOc3ccon3)on2)cc1F
InChIInChI=1S/C14H9F2N3O3/c15-11-2-1-9(7-12(11)16)13-8-10(21-18-13)3-5-17-22-14-4-6-20-19-14/h1-8,17H
InChIKeyKEHSQANZNRVHRH-UHFFFAOYSA-N
MW305.24 g/mol
LogP3.16
Rot. Bonds5

About 2-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-N-(1,2-oxazol-3-yloxy)ethenamine

2-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-N-(1,2-oxazol-3-yloxy)ethenamine (PubChem CID 90990595) has the molecular formula C14H9F2N3O3 and a molecular weight of 305.24 g/mol. Its IUPAC name is 2-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-N-(1,2-oxazol-3-yloxy)ethenamine.

Molecular Properties

Compound Name2-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-N-(1,2-oxazol-3-yloxy)ethenamine
PubChem CID90990595
Molecular FormulaC14H9F2N3O3
Molecular Weight305.24 g/mol
Exact Mass305.06
IUPAC Name2-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-N-(1,2-oxazol-3-yloxy)ethenamine
SMILESFc1ccc(-c2cc(C=CNOc3ccon3)on2)cc1F
InChIInChI=1S/C14H9F2N3O3/c15-11-2-1-9(7-12(11)16)13-8-10(21-18-13)3-5-17-22-14-4-6-20-19-14/h1-8,17H
InChIKeyKEHSQANZNRVHRH-UHFFFAOYSA-N
XLogP3.16
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-N-(1,2-oxazol-3-yloxy)ethenamine?
The IUPAC name of 2-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-N-(1,2-oxazol-3-yloxy)ethenamine (CID 90990595) is 2-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-N-(1,2-oxazol-3-yloxy)ethenamine.
What is the SMILES notation for 2-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-N-(1,2-oxazol-3-yloxy)ethenamine?
The canonical SMILES for 2-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-N-(1,2-oxazol-3-yloxy)ethenamine is Fc1ccc(-c2cc(C=CNOc3ccon3)on2)cc1F.
What is the InChIKey of 2-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-N-(1,2-oxazol-3-yloxy)ethenamine?
The InChIKey is KEHSQANZNRVHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O3/c15-11-2-1-9(7-12(11)16)13-8-10(21-18-13)3-5-17-22-14-4-6-20-19-14/h1-8,17H.
What are the key properties of 2-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-N-(1,2-oxazol-3-yloxy)ethenamine?
2-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-N-(1,2-oxazol-3-yloxy)ethenamine has a molecular weight of 305.24 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-N-(1,2-oxazol-3-yloxy)ethenamine is sourced from PubChem (CID 90990595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).