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

C11H11ClN2O — CID 105423393

IUPAC1-[4-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanamine
SMILESCC(N)c1nocc1-c1cccc(Cl)c1
InChIInChI=1S/C11H11ClN2O/c1-7(13)11-10(6-15-14-11)8-3-2-4-9(12)5-8/h2-7H,13H2,1H3
InChIKeyXJBRXXCDVZFFPV-UHFFFAOYSA-N
MW222.68 g/mol
LogP3.01
Rot. Bonds2

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

1-[4-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanamine (PubChem CID 105423393) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanamine
PubChem CID105423393
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name1-[4-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanamine
SMILESCC(N)c1nocc1-c1cccc(Cl)c1
InChIInChI=1S/C11H11ClN2O/c1-7(13)11-10(6-15-14-11)8-3-2-4-9(12)5-8/h2-7H,13H2,1H3
InChIKeyXJBRXXCDVZFFPV-UHFFFAOYSA-N
XLogP3.01
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-1,2-oxazol-4-ol
CID 14372254
1-[4-(3-chlorophenyl)phenyl]ethanamine
CID 43826632
2-chloro-1,3-bis(3-chlorophenyl)benzene
CID 54080795
1-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 43649836
3-(3-chlorophenyl)-5-methyl-4-propan-2-yl-1,2-oxazole
CID 126625276
1-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]ethanamine
CID 105497241
5-(1-chloroethyl)-3-(3-chlorophenyl)-1,2-oxazole
CID 139270190
3-(3-chlorophenyl)-2,6-difluoroaniline
CID 165455763
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
(1S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
CID 119947822
1-[5-(3-chlorophenyl)-1-methylpyrazol-4-yl]ethanamine
CID 105497256
1-[3-bromo-5-(3-chlorophenyl)phenyl]ethanamine
CID 171791268

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanamine?
The IUPAC name of 1-[4-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanamine (CID 105423393) is 1-[4-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanamine.
What is the SMILES notation for 1-[4-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanamine?
The canonical SMILES for 1-[4-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanamine is CC(N)c1nocc1-c1cccc(Cl)c1.
What is the InChIKey of 1-[4-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanamine?
The InChIKey is XJBRXXCDVZFFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-7(13)11-10(6-15-14-11)8-3-2-4-9(12)5-8/h2-7H,13H2,1H3.
What are the key properties of 1-[4-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanamine?
1-[4-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanamine has a molecular weight of 222.68 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanamine is sourced from PubChem (CID 105423393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).