2-[4-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanamine

C11H11ClN2O — CID 105423396

IUPAC2-[4-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanamine
SMILESNCCc1nocc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2O/c12-9-3-1-8(2-4-9)10-7-15-14-11(10)5-6-13/h1-4,7H,5-6,13H2
InChIKeySEXGGXVLUGWDEC-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.50
Rot. Bonds3

About 2-[4-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanamine

2-[4-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanamine (PubChem CID 105423396) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanamine
PubChem CID105423396
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name2-[4-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanamine
SMILESNCCc1nocc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2O/c12-9-3-1-8(2-4-9)10-7-15-14-11(10)5-6-13/h1-4,7H,5-6,13H2
InChIKeySEXGGXVLUGWDEC-UHFFFAOYSA-N
XLogP2.50
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-chlorophenyl)-1,2-oxazol-4-yl]ethanamine
CID 82287035
2-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 43665687
2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethanamine;dihydrochloride
CID 131880085
4-(4-chlorophenyl)furan-3-amine
CID 117223720
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetonitrile;2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethanamine
CID 159604704
[4,5-bis(4-chlorophenyl)pyrimidin-2-yl]methanamine
CID 134228140
[4,5-bis(4-chlorophenyl)-2-pyridinyl]methanamine
CID 134228110
5-(4-chlorophenyl)-6-ethylpyridin-2-amine
CID 58709674
2-[6-(4-chlorophenyl)-2-pyridinyl]ethanamine
CID 83713592
2-[6-(4-chlorophenyl)pyrimidin-4-yl]ethanamine
CID 83850617
2-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride
CID 19596489
4-[4-(2-aminoethyl)-1,2-oxazol-3-yl]-N,N-dimethylaniline
CID 82289199

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanamine?
The IUPAC name of 2-[4-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanamine (CID 105423396) is 2-[4-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanamine?
The canonical SMILES for 2-[4-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanamine is NCCc1nocc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanamine?
The InChIKey is SEXGGXVLUGWDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-9-3-1-8(2-4-9)10-7-15-14-11(10)5-6-13/h1-4,7H,5-6,13H2.
What are the key properties of 2-[4-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanamine?
2-[4-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanamine has a molecular weight of 222.68 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanamine is sourced from PubChem (CID 105423396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).