2-[5-(2,5-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine

C14H16F2N2O2 — CID 65182376

IUPAC2-[5-(2,5-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1ncc(-c2cc(F)ccc2F)o1
InChIInChI=1S/C14H16F2N2O2/c1-19-7-6-17-5-4-14-18-9-13(20-14)11-8-10(15)2-3-12(11)16/h2-3,8-9,17H,4-7H2,1H3
InChIKeyBQZRUXSEYWKODS-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.40
Rot. Bonds7

About 2-[5-(2,5-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine

2-[5-(2,5-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine (PubChem CID 65182376) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-[5-(2,5-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-[5-(2,5-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
PubChem CID65182376
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name2-[5-(2,5-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1ncc(-c2cc(F)ccc2F)o1
InChIInChI=1S/C14H16F2N2O2/c1-19-7-6-17-5-4-14-18-9-13(20-14)11-8-10(15)2-3-12(11)16/h2-3,8-9,17H,4-7H2,1H3
InChIKeyBQZRUXSEYWKODS-UHFFFAOYSA-N
XLogP2.40
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(5-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182663
N-[[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 65181474
2-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 107952761
N-[2-[5-(2-fluoro-5-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182962
2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 106690357
2-[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 106690356
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65184898
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182714
2-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 107941918
N-[2-[5-(5-fluoro-2-nitrophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183008
2-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182090
3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65184796

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-[5-(2,5-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine (CID 65182376) is 2-[5-(2,5-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-[5-(2,5-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-[5-(2,5-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine is COCCNCCc1ncc(-c2cc(F)ccc2F)o1.
What is the InChIKey of 2-[5-(2,5-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine?
The InChIKey is BQZRUXSEYWKODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-19-7-6-17-5-4-14-18-9-13(20-14)11-8-10(15)2-3-12(11)16/h2-3,8-9,17H,4-7H2,1H3.
What are the key properties of 2-[5-(2,5-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine?
2-[5-(2,5-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine has a molecular weight of 282.29 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 65182376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).