(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine;hydrochloride

C11H13ClN2O — CID 138039801

IUPAC(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine;hydrochloride
SMILESC[C@@H](N)c1ncc(-c2ccccc2)o1.Cl
InChIInChI=1S/C11H12N2O.ClH/c1-8(12)11-13-7-10(14-11)9-5-3-2-4-6-9;/h2-8H,12H2,1H3;1H/t8-;/m1./s1
InChIKeyRTZFFHFGTIDJNQ-DDWIOCJRSA-N
MW224.69 g/mol
LogP2.78
Rot. Bonds2

About (1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine;hydrochloride

(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine;hydrochloride (PubChem CID 138039801) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is (1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine;hydrochloride
PubChem CID138039801
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine;hydrochloride
SMILESC[C@@H](N)c1ncc(-c2ccccc2)o1.Cl
InChIInChI=1S/C11H12N2O.ClH/c1-8(12)11-13-7-10(14-11)9-5-3-2-4-6-9;/h2-8H,12H2,1H3;1H/t8-;/m1./s1
InChIKeyRTZFFHFGTIDJNQ-DDWIOCJRSA-N
XLogP2.78
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-3-methyl-1-(5-phenyl-1,3-oxazol-2-yl)butan-1-amine;sulfane
CID 161178704
1-[5-(3-bromophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179063
N-methyl-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine
CID 65181733
2-(5-phenyl-1,3-oxazol-2-yl)propanoate
CID 57371463
1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 107952706
(1R)-1-(5-phenylfuran-2-yl)ethanamine
CID 28804251
1-(5-phenylfuran-2-yl)ethanamine
CID 3028403
4-amino-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]butanamide
CID 119332446
2-amino-2-methyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pentanamide;hydrochloride
CID 119799047
4-amino-3-methoxy-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]butanamide;hydrochloride
CID 120593061
1-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]ethanamine
CID 65179120
5-(4-phenylphenyl)-1,3-oxazol-2-amine
CID 82291590

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine;hydrochloride?
The IUPAC name of (1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine;hydrochloride (CID 138039801) is (1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine;hydrochloride is C[C@@H](N)c1ncc(-c2ccccc2)o1.Cl.
What is the InChIKey of (1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine;hydrochloride?
The InChIKey is RTZFFHFGTIDJNQ-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H12N2O.ClH/c1-8(12)11-13-7-10(14-11)9-5-3-2-4-6-9;/h2-8H,12H2,1H3;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine;hydrochloride?
(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine;hydrochloride has a molecular weight of 224.69 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 138039801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).