(1R)-1-[3-chloro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine

C12H13ClN2O2 — CID 113389763

IUPAC(1R)-1-[3-chloro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCc2ccno2)c(Cl)c1
InChIInChI=1S/C12H13ClN2O2/c1-8(14)9-2-3-12(11(13)6-9)16-7-10-4-5-15-17-10/h2-6,8H,7,14H2,1H3/t8-/m1/s1
InChIKeyYFCSNQWXBGTXTN-MRVPVSSYSA-N
MW252.70 g/mol
LogP2.93
Rot. Bonds4

About (1R)-1-[3-chloro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine

(1R)-1-[3-chloro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine (PubChem CID 113389763) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
PubChem CID113389763
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name(1R)-1-[3-chloro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCc2ccno2)c(Cl)c1
InChIInChI=1S/C12H13ClN2O2/c1-8(14)9-2-3-12(11(13)6-9)16-7-10-4-5-15-17-10/h2-6,8H,7,14H2,1H3/t8-/m1/s1
InChIKeyYFCSNQWXBGTXTN-MRVPVSSYSA-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

Analyze (1R)-1-[3-chloro-4-(1,2-oxazol-5-ylmethoxy)phenyl]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-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 62074736
(1S)-1-[3-chloro-4-(furan-2-ylmethoxy)phenyl]ethanamine
CID 78937702
1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 112693380
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
(1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 113389810
1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 115649377
1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63937758
(1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615294
5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,2-oxazole
CID 78913027
1-[4-[(4-bromothiophen-2-yl)methoxy]-3-chlorophenyl]ethanamine
CID 113389706
1-[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol
CID 43503809
1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 62911731

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-chloro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine (CID 113389763) is (1R)-1-[3-chloro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-chloro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-chloro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine is C[C@@H](N)c1ccc(OCc2ccno2)c(Cl)c1.
What is the InChIKey of (1R)-1-[3-chloro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine?
The InChIKey is YFCSNQWXBGTXTN-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-8(14)9-2-3-12(11(13)6-9)16-7-10-4-5-15-17-10/h2-6,8H,7,14H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine?
(1R)-1-[3-chloro-4-(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 (1R)-1-[3-chloro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 113389763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).