2-[5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-yl]ethanamine

C11H10ClFN2O — CID 82477361

IUPAC2-[5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-yl]ethanamine
SMILESNCCc1cc(-c2ccc(F)c(Cl)c2)on1
InChIInChI=1S/C11H10ClFN2O/c12-9-5-7(1-2-10(9)13)11-6-8(3-4-14)15-16-11/h1-2,5-6H,3-4,14H2
InChIKeyVKSVOEJEGLWHPO-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.64
Rot. Bonds3

About 2-[5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-yl]ethanamine

2-[5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-yl]ethanamine (PubChem CID 82477361) has the molecular formula C11H10ClFN2O and a molecular weight of 240.67 g/mol. Its IUPAC name is 2-[5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-yl]ethanamine
PubChem CID82477361
Molecular FormulaC11H10ClFN2O
Molecular Weight240.67 g/mol
Exact Mass240.05
IUPAC Name2-[5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-yl]ethanamine
SMILESNCCc1cc(-c2ccc(F)c(Cl)c2)on1
InChIInChI=1S/C11H10ClFN2O/c12-9-5-7(1-2-10(9)13)11-6-8(3-4-14)15-16-11/h1-2,5-6H,3-4,14H2
InChIKeyVKSVOEJEGLWHPO-UHFFFAOYSA-N
XLogP2.64
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-chloro-4-fluorophenyl)phenyl]ethanamine
CID 68867415
2-[5-(4-ethoxy-3-methylphenyl)-1,2-oxazol-3-yl]ethanamine
CID 96662742
3-[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 82879725
2-[5-(4-propoxyphenyl)-1,2-oxazol-3-yl]ethanamine
CID 95732607
2-[5-(3-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 80502983
2-[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]ethanamine
CID 63087706
6-[3-(2-aminoethyl)-1,2-oxazol-5-yl]-4H-1,4-benzoxazin-3-one
CID 82483845
6-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 63093946
2-[4-bromo-5-(3-chloro-4-fluorophenyl)-1-methylpyrazol-3-yl]ethanamine
CID 84609484
[5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-yl]methanol
CID 82048699
[4-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 66380335
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetonitrile
CID 45496834

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-yl]ethanamine (CID 82477361) is 2-[5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-yl]ethanamine is NCCc1cc(-c2ccc(F)c(Cl)c2)on1.
What is the InChIKey of 2-[5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-yl]ethanamine?
The InChIKey is VKSVOEJEGLWHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c12-9-5-7(1-2-10(9)13)11-6-8(3-4-14)15-16-11/h1-2,5-6H,3-4,14H2.
What are the key properties of 2-[5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-yl]ethanamine?
2-[5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-yl]ethanamine has a molecular weight of 240.67 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-yl]ethanamine is sourced from PubChem (CID 82477361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).