1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-ethylethanamine

C14H17BrN2O2 — CID 102947607

IUPAC1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1OCc1ccno1
InChIInChI=1S/C14H17BrN2O2/c1-3-16-10(2)13-5-4-11(15)8-14(13)18-9-12-6-7-17-19-12/h4-8,10,16H,3,9H2,1-2H3
InChIKeyXSZCDOOJORRUAN-UHFFFAOYSA-N
MW325.21 g/mol
LogP3.69
Rot. Bonds6

About 1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-ethylethanamine

1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-ethylethanamine (PubChem CID 102947607) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-ethylethanamine
PubChem CID102947607
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1OCc1ccno1
InChIInChI=1S/C14H17BrN2O2/c1-3-16-10(2)13-5-4-11(15)8-14(13)18-9-12-6-7-17-19-12/h4-8,10,16H,3,9H2,1-2H3
InChIKeyXSZCDOOJORRUAN-UHFFFAOYSA-N
XLogP3.69
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[4-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 63640834
1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-ethylethanamine
CID 102947675
1-[4-bromo-2-(1,3-thiazol-2-ylmethoxy)phenyl]-N-ethylethanamine
CID 102947651
1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine
CID 82976068
1-[4-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-ethylethanamine
CID 102947693
N-[1-[4-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 102947838
1-(4-bromo-2-butoxyphenyl)-N-ethylethanamine
CID 82976092
1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine
CID 82976363
N-[1-[4-bromo-2-(furan-2-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 82975485
1-[4-bromo-2-(2-pyridin-4-ylethoxy)phenyl]-N-ethylethanamine
CID 102947767
1-[4-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-ethylethanamine
CID 102947792
N-[1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 62074246

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-ethylethanamine (CID 102947607) is 1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(Br)cc1OCc1ccno1.
What is the InChIKey of 1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-ethylethanamine?
The InChIKey is XSZCDOOJORRUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-3-16-10(2)13-5-4-11(15)8-14(13)18-9-12-6-7-17-19-12/h4-8,10,16H,3,9H2,1-2H3.
What are the key properties of 1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-ethylethanamine?
1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-ethylethanamine has a molecular weight of 325.21 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 102947607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).