(1R)-1-(5-chloro-2-methoxyphenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]ethanamine

C15H19ClN2O2 — CID 97232655

IUPAC(1R)-1-(5-chloro-2-methoxyphenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]ethanamine
SMILESCCc1cc(CN[C@H](C)c2cc(Cl)ccc2OC)on1
InChIInChI=1S/C15H19ClN2O2/c1-4-12-8-13(20-18-12)9-17-10(2)14-7-11(16)5-6-15(14)19-3/h5-8,10,17H,4,9H2,1-3H3/t10-/m1/s1
InChIKeyYCJXPQUSUNZGKJ-SNVBAGLBSA-N
MW294.78 g/mol
LogP3.75
Rot. Bonds6

About (1R)-1-(5-chloro-2-methoxyphenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]ethanamine

(1R)-1-(5-chloro-2-methoxyphenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]ethanamine (PubChem CID 97232655) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (1R)-1-(5-chloro-2-methoxyphenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(5-chloro-2-methoxyphenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]ethanamine
PubChem CID97232655
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(1R)-1-(5-chloro-2-methoxyphenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]ethanamine
SMILESCCc1cc(CN[C@H](C)c2cc(Cl)ccc2OC)on1
InChIInChI=1S/C15H19ClN2O2/c1-4-12-8-13(20-18-12)9-17-10(2)14-7-11(16)5-6-15(14)19-3/h5-8,10,17H,4,9H2,1-3H3/t10-/m1/s1
InChIKeyYCJXPQUSUNZGKJ-SNVBAGLBSA-N
XLogP3.75
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(5-chloro-2-methoxyphenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60713894
(2S)-1-[1-(5-chloro-2-methoxyphenyl)ethylamino]propan-2-ol
CID 103906405
1-(2,4-dichlorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60719338
1-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 62346399
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 84598310
N-[1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 62074068
N-[(3-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine
CID 43224440
(1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397924
N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 106684605
1-cyclopropyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 115677284
N-[(3-chloro-4-fluorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine
CID 119165246
1-(4-fluoro-3-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 82993682

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chloro-2-methoxyphenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(5-chloro-2-methoxyphenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]ethanamine (CID 97232655) is (1R)-1-(5-chloro-2-methoxyphenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(5-chloro-2-methoxyphenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(5-chloro-2-methoxyphenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]ethanamine is CCc1cc(CN[C@H](C)c2cc(Cl)ccc2OC)on1.
What is the InChIKey of (1R)-1-(5-chloro-2-methoxyphenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]ethanamine?
The InChIKey is YCJXPQUSUNZGKJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-4-12-8-13(20-18-12)9-17-10(2)14-7-11(16)5-6-15(14)19-3/h5-8,10,17H,4,9H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-(5-chloro-2-methoxyphenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]ethanamine?
(1R)-1-(5-chloro-2-methoxyphenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]ethanamine has a molecular weight of 294.78 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-chloro-2-methoxyphenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 97232655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).