1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine

C12H13ClN2O2 — CID 62074736

IUPAC1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
SMILESCC(N)c1cc(Cl)ccc1OCc1ccno1
InChIInChI=1S/C12H13ClN2O2/c1-8(14)11-6-9(13)2-3-12(11)16-7-10-4-5-15-17-10/h2-6,8H,7,14H2,1H3
InChIKeyZXBGZWOODPEHDG-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.93
Rot. Bonds4

About 1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine

1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine (PubChem CID 62074736) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
PubChem CID62074736
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
SMILESCC(N)c1cc(Cl)ccc1OCc1ccno1
InChIInChI=1S/C12H13ClN2O2/c1-8(14)11-6-9(13)2-3-12(11)16-7-10-4-5-15-17-10/h2-6,8H,7,14H2,1H3
InChIKeyZXBGZWOODPEHDG-UHFFFAOYSA-N
XLogP2.93
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 62074246
(1R)-1-[3-chloro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 113389763
1-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 55031302
1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63499414
1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 62075077
1-[5-chloro-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 65318702
(1S)-1-[5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78933151
(1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 63366646
(1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 78933101
(1S)-1-(5-chloro-2-prop-2-enoxyphenyl)ethanamine
CID 78933106
(1S)-1-[5-chloro-2-[(3-chloro-4-pyridinyl)methoxy]phenyl]ethanamine
CID 79014080
(1S)-1-[5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 78933150

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine (CID 62074736) is 1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine is CC(N)c1cc(Cl)ccc1OCc1ccno1.
What is the InChIKey of 1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine?
The InChIKey is ZXBGZWOODPEHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-8(14)11-6-9(13)2-3-12(11)16-7-10-4-5-15-17-10/h2-6,8H,7,14H2,1H3.
What are the key properties of 1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine?
1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine has a molecular weight of 252.70 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 62074736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).