2-[2-chloro-6-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine

C12H13ClN2O2 — CID 114321413

IUPAC2-[2-chloro-6-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
SMILESNCCc1c(Cl)cccc1OCc1ccno1
InChIInChI=1S/C12H13ClN2O2/c13-11-2-1-3-12(10(11)4-6-14)16-8-9-5-7-15-17-9/h1-3,5,7H,4,6,8,14H2
InChIKeyMAEGRVOJWXXFLY-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.41
Rot. Bonds5

About 2-[2-chloro-6-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine

2-[2-chloro-6-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine (PubChem CID 114321413) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-[2-chloro-6-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-6-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
PubChem CID114321413
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name2-[2-chloro-6-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
SMILESNCCc1c(Cl)cccc1OCc1ccno1
InChIInChI=1S/C12H13ClN2O2/c13-11-2-1-3-12(10(11)4-6-14)16-8-9-5-7-15-17-9/h1-3,5,7H,4,6,8,14H2
InChIKeyMAEGRVOJWXXFLY-UHFFFAOYSA-N
XLogP2.41
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 113277121
2-[2-chloro-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 113277114
2-[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 114321504
2-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321633
2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 106269272
2-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 114321572
(1R)-1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine
CID 55190081
2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321655
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321473
2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102878213
2-[2-chloro-6-(2-fluorophenoxy)phenyl]ethanamine
CID 63815774
2-methyl-3-(1,2-oxazol-5-ylmethoxy)phenol
CID 43143231

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[2-chloro-6-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine (CID 114321413) is 2-[2-chloro-6-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-6-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-6-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine is NCCc1c(Cl)cccc1OCc1ccno1.
What is the InChIKey of 2-[2-chloro-6-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine?
The InChIKey is MAEGRVOJWXXFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-11-2-1-3-12(10(11)4-6-14)16-8-9-5-7-15-17-9/h1-3,5,7H,4,6,8,14H2.
What are the key properties of 2-[2-chloro-6-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine?
2-[2-chloro-6-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine has a molecular weight of 252.70 g/mol, XLogP of 2.41, 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-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 114321413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).