2-[2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine

C13H15ClN2O2 — CID 113277121

IUPAC2-[2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
SMILESCc1cc(COc2cccc(Cl)c2CCN)on1
InChIInChI=1S/C13H15ClN2O2/c1-9-7-10(18-16-9)8-17-13-4-2-3-12(14)11(13)5-6-15/h2-4,7H,5-6,8,15H2,1H3
InChIKeyXOFNSPWVEZXCGC-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.72
Rot. Bonds5

About 2-[2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine

2-[2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine (PubChem CID 113277121) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-[2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
PubChem CID113277121
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name2-[2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
SMILESCc1cc(COc2cccc(Cl)c2CCN)on1
InChIInChI=1S/C13H15ClN2O2/c1-9-7-10(18-16-9)8-17-13-4-2-3-12(14)11(13)5-6-15/h2-4,7H,5-6,8,15H2,1H3
InChIKeyXOFNSPWVEZXCGC-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

2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 112615109
2-[2-chloro-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 113277114
2-[2-chloro-6-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 114321413
2-[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 114321504
3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
CID 2192631
3-chloro-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]aniline
CID 68883487
[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 112607574
2-[5-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 107700392
2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102878213
2-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 114321572
2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321655
3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzaldehyde
CID 112611517

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine (CID 113277121) is 2-[2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine is Cc1cc(COc2cccc(Cl)c2CCN)on1.
What is the InChIKey of 2-[2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine?
The InChIKey is XOFNSPWVEZXCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-9-7-10(18-16-9)8-17-13-4-2-3-12(14)11(13)5-6-15/h2-4,7H,5-6,8,15H2,1H3.
What are the key properties of 2-[2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine?
2-[2-chloro-6-[(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-[2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 113277121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).