2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine

C13H15ClN2O2 — CID 112615109

IUPAC2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
SMILESCc1cc(COc2c(Cl)cccc2CCN)on1
InChIInChI=1S/C13H15ClN2O2/c1-9-7-11(18-16-9)8-17-13-10(5-6-15)3-2-4-12(13)14/h2-4,7H,5-6,8,15H2,1H3
InChIKeyZXAZKQDYCDVGLP-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.72
Rot. Bonds5

About 2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine

2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine (PubChem CID 112615109) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
PubChem CID112615109
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
SMILESCc1cc(COc2c(Cl)cccc2CCN)on1
InChIInChI=1S/C13H15ClN2O2/c1-9-7-11(18-16-9)8-17-13-10(5-6-15)3-2-4-12(13)14/h2-4,7H,5-6,8,15H2,1H3
InChIKeyZXAZKQDYCDVGLP-UHFFFAOYSA-N
XLogP2.72
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 112607574
2-[2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 113277121
3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzaldehyde
CID 112611517
5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 78913723
2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 115957754
2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine
CID 115957801
2-[5-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 107700392
2-[3-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 112615108
3-chloro-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]aniline
CID 68883487
N-[[3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 115955154
2-[3-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 112614987
2-[3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanamine
CID 112615166

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine (CID 112615109) is 2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine is Cc1cc(COc2c(Cl)cccc2CCN)on1.
What is the InChIKey of 2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine?
The InChIKey is ZXAZKQDYCDVGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-9-7-11(18-16-9)8-17-13-10(5-6-15)3-2-4-12(13)14/h2-4,7H,5-6,8,15H2,1H3.
What are the key properties of 2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine?
2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine has a molecular weight of 266.73 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 112615109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).