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

C11H11ClN2O — CID 82287035

IUPAC2-[3-(2-chlorophenyl)-1,2-oxazol-4-yl]ethanamine
SMILESNCCc1conc1-c1ccccc1Cl
InChIInChI=1S/C11H11ClN2O/c12-10-4-2-1-3-9(10)11-8(5-6-13)7-15-14-11/h1-4,7H,5-6,13H2
InChIKeyMPDGVBXFURFAFQ-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.50
Rot. Bonds3

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

2-[3-(2-chlorophenyl)-1,2-oxazol-4-yl]ethanamine (PubChem CID 82287035) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)-1,2-oxazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)-1,2-oxazol-4-yl]ethanamine
PubChem CID82287035
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name2-[3-(2-chlorophenyl)-1,2-oxazol-4-yl]ethanamine
SMILESNCCc1conc1-c1ccccc1Cl
InChIInChI=1S/C11H11ClN2O/c12-10-4-2-1-3-9(10)11-8(5-6-13)7-15-14-11/h1-4,7H,5-6,13H2
InChIKeyMPDGVBXFURFAFQ-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-pyridin-3-yl-1,2-oxazol-4-yl)ethanamine
CID 82281197
azane;2-(2-chlorophenyl)ethanamine
CID 70087147
4-[4-(2-aminoethyl)-1,2-oxazol-3-yl]-N,N-dimethylaniline
CID 82289199
2-[2-(7-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine
CID 81433835
[4-(2-chlorophenyl)pyrimidin-5-yl]methanamine
CID 105475068
[5-(2-chlorophenyl)-2H-triazol-4-yl]methanamine
CID 105462517
3-[4-(2-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid
CID 105423723
2-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine
CID 19596628
4-bromo-3-(2-chlorophenyl)-1,2-oxazol-5-amine
CID 83913780
2-[4-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanamine
CID 105423396
2-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride
CID 19596627
[3-(2,3-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine
CID 82389813

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)-1,2-oxazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(2-chlorophenyl)-1,2-oxazol-4-yl]ethanamine (CID 82287035) is 2-[3-(2-chlorophenyl)-1,2-oxazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(2-chlorophenyl)-1,2-oxazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(2-chlorophenyl)-1,2-oxazol-4-yl]ethanamine is NCCc1conc1-c1ccccc1Cl.
What is the InChIKey of 2-[3-(2-chlorophenyl)-1,2-oxazol-4-yl]ethanamine?
The InChIKey is MPDGVBXFURFAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-10-4-2-1-3-9(10)11-8(5-6-13)7-15-14-11/h1-4,7H,5-6,13H2.
What are the key properties of 2-[3-(2-chlorophenyl)-1,2-oxazol-4-yl]ethanamine?
2-[3-(2-chlorophenyl)-1,2-oxazol-4-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-[3-(2-chlorophenyl)-1,2-oxazol-4-yl]ethanamine is sourced from PubChem (CID 82287035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).