1-(2-chlorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine

C14H17ClN2O — CID 103893469

IUPAC1-(2-chlorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
SMILESCc1cnc(C(C)NC(C)c2ccccc2Cl)o1
InChIInChI=1S/C14H17ClN2O/c1-9-8-16-14(18-9)11(3)17-10(2)12-6-4-5-7-13(12)15/h4-8,10-11,17H,1-3H3
InChIKeyJALXVJJBNDATCO-UHFFFAOYSA-N
MW264.76 g/mol
LogP4.05
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine

1-(2-chlorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine (PubChem CID 103893469) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
PubChem CID103893469
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name1-(2-chlorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
SMILESCc1cnc(C(C)NC(C)c2ccccc2Cl)o1
InChIInChI=1S/C14H17ClN2O/c1-9-8-16-14(18-9)11(3)17-10(2)12-6-4-5-7-13(12)15/h4-8,10-11,17H,1-3H3
InChIKeyJALXVJJBNDATCO-UHFFFAOYSA-N
XLogP4.05
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(2-nitrophenyl)ethanamine
CID 103912148
N-[(2-chlorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893421
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 103893462
2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]ethyl]benzene-1,4-diol
CID 106388008
1-(2-fluorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 106387884
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 79691249
(1S)-1-(2-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 103914683
N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine
CID 113437463
N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893749
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 114182327
1-(2-chlorophenyl)-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 86922549
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazol-2-amine
CID 106544922

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine (CID 103893469) is 1-(2-chlorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine is Cc1cnc(C(C)NC(C)c2ccccc2Cl)o1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine?
The InChIKey is JALXVJJBNDATCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-9-8-16-14(18-9)11(3)17-10(2)12-6-4-5-7-13(12)15/h4-8,10-11,17H,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine?
1-(2-chlorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine has a molecular weight of 264.76 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 103893469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).