2-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine

C14H16BrFN2O2 — CID 107952761

IUPAC2-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1ncc(-c2ccc(F)c(Br)c2)o1
InChIInChI=1S/C14H16BrFN2O2/c1-19-7-6-17-5-4-14-18-9-13(20-14)10-2-3-12(16)11(15)8-10/h2-3,8-9,17H,4-7H2,1H3
InChIKeyCDWOPNYLBRCQGS-UHFFFAOYSA-N
MW343.20 g/mol
LogP3.02
Rot. Bonds7

About 2-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine

2-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine (PubChem CID 107952761) has the molecular formula C14H16BrFN2O2 and a molecular weight of 343.20 g/mol. Its IUPAC name is 2-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
PubChem CID107952761
Molecular FormulaC14H16BrFN2O2
Molecular Weight343.20 g/mol
Exact Mass342.04
IUPAC Name2-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1ncc(-c2ccc(F)c(Br)c2)o1
InChIInChI=1S/C14H16BrFN2O2/c1-19-7-6-17-5-4-14-18-9-13(20-14)10-2-3-12(16)11(15)8-10/h2-3,8-9,17H,4-7H2,1H3
InChIKeyCDWOPNYLBRCQGS-UHFFFAOYSA-N
XLogP3.02
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 53.02
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

3-[5-(3-bromo-4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 81475753
2-[5-(5-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182663
2-[5-(2,5-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182376
2-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 107941918
2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182137
2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65182798
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182714
N-[2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183109
N-ethyl-2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65183247
2-[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 106690356
2-[5-(3-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 107994741
3-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187021

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine (CID 107952761) is 2-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine is COCCNCCc1ncc(-c2ccc(F)c(Br)c2)o1.
What is the InChIKey of 2-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine?
The InChIKey is CDWOPNYLBRCQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O2/c1-19-7-6-17-5-4-14-18-9-13(20-14)10-2-3-12(16)11(15)8-10/h2-3,8-9,17H,4-7H2,1H3.
What are the key properties of 2-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine?
2-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine has a molecular weight of 343.20 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 107952761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).