3-[2-(3-chlorophenyl)ethyl]-1,2-oxazol-5-amine

C11H11ClN2O — CID 82080374

IUPAC3-[2-(3-chlorophenyl)ethyl]-1,2-oxazol-5-amine
SMILESNc1cc(CCc2cccc(Cl)c2)no1
InChIInChI=1S/C11H11ClN2O/c12-9-3-1-2-8(6-9)4-5-10-7-11(13)15-14-10/h1-3,6-7H,4-5,13H2
InChIKeyVOYBSAAZKVAVAA-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.70
Rot. Bonds3

About 3-[2-(3-chlorophenyl)ethyl]-1,2-oxazol-5-amine

3-[2-(3-chlorophenyl)ethyl]-1,2-oxazol-5-amine (PubChem CID 82080374) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)ethyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)ethyl]-1,2-oxazol-5-amine
PubChem CID82080374
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name3-[2-(3-chlorophenyl)ethyl]-1,2-oxazol-5-amine
SMILESNc1cc(CCc2cccc(Cl)c2)no1
InChIInChI=1S/C11H11ClN2O/c12-9-3-1-2-8(6-9)4-5-10-7-11(13)15-14-10/h1-3,6-7H,4-5,13H2
InChIKeyVOYBSAAZKVAVAA-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-ethylphenyl)ethyl]-1,2-oxazol-5-amine
CID 82078778
3-(2-thiophen-2-ylethyl)-1,2-oxazol-5-amine
CID 82075946
3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 3382841
2-[2-(3-chlorophenyl)ethyl]oxirane
CID 22123721
3-propyl-1,2-oxazol-5-amine
CID 2104061
3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine
CID 70026802
3-(3-fluorobut-3-enyl)-1,2-oxazol-5-amine
CID 170138401
magnesium;(3-chlorophenyl)methanamine;hydride
CID 174518906
4-chloro-2-[2-(3-chlorophenyl)ethyl]quinoline
CID 23614355
2-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 82296139
1-[3-(2-phenylethyl)-1,2-oxazol-5-yl]ethanamine
CID 114420254
3-ethyl-1,2-oxazol-5-amine
CID 10866295

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)ethyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[2-(3-chlorophenyl)ethyl]-1,2-oxazol-5-amine (CID 82080374) is 3-[2-(3-chlorophenyl)ethyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[2-(3-chlorophenyl)ethyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[2-(3-chlorophenyl)ethyl]-1,2-oxazol-5-amine is Nc1cc(CCc2cccc(Cl)c2)no1.
What is the InChIKey of 3-[2-(3-chlorophenyl)ethyl]-1,2-oxazol-5-amine?
The InChIKey is VOYBSAAZKVAVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-9-3-1-2-8(6-9)4-5-10-7-11(13)15-14-10/h1-3,6-7H,4-5,13H2.
What are the key properties of 3-[2-(3-chlorophenyl)ethyl]-1,2-oxazol-5-amine?
3-[2-(3-chlorophenyl)ethyl]-1,2-oxazol-5-amine has a molecular weight of 222.68 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)ethyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 82080374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).