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

C11H10ClFN2O — CID 82477362

IUPAC2-[2-(5-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine
SMILESNCCc1coc(-c2cc(Cl)ccc2F)n1
InChIInChI=1S/C11H10ClFN2O/c12-7-1-2-10(13)9(5-7)11-15-8(3-4-14)6-16-11/h1-2,5-6H,3-4,14H2
InChIKeyAEYDNDJBXNKFQT-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.64
Rot. Bonds3

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

2-[2-(5-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine (PubChem CID 82477362) has the molecular formula C11H10ClFN2O and a molecular weight of 240.67 g/mol. Its IUPAC name is 2-[2-(5-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(5-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine
PubChem CID82477362
Molecular FormulaC11H10ClFN2O
Molecular Weight240.67 g/mol
Exact Mass240.05
IUPAC Name2-[2-(5-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine
SMILESNCCc1coc(-c2cc(Cl)ccc2F)n1
InChIInChI=1S/C11H10ClFN2O/c12-7-1-2-10(13)9(5-7)11-15-8(3-4-14)6-16-11/h1-2,5-6H,3-4,14H2
InChIKeyAEYDNDJBXNKFQT-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

3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115084368
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetonitrile;2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethanamine
CID 159604704
2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 25324136
2-[2-(2-methoxy-4,5-dimethylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 82479428
2-(2-bromo-4-chlorophenyl)-4-(chloromethyl)-1,3-oxazole
CID 107991092
3-[4-(2-aminoethyl)-1,3-oxazol-2-yl]phenol
CID 115084355
2-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084128
2-[2-(2,4-dimethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 96666077
[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanamine
CID 65289102
[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methanol
CID 55255072
2-[2-(fluoromethyl)-1,3-oxazol-4-yl]ethanamine
CID 84762826
2-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole
CID 15925546

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(5-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine (CID 82477362) is 2-[2-(5-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(5-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(5-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine is NCCc1coc(-c2cc(Cl)ccc2F)n1.
What is the InChIKey of 2-[2-(5-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine?
The InChIKey is AEYDNDJBXNKFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c12-7-1-2-10(13)9(5-7)11-15-8(3-4-14)6-16-11/h1-2,5-6H,3-4,14H2.
What are the key properties of 2-[2-(5-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine?
2-[2-(5-chloro-2-fluorophenyl)-1,3-oxazol-4-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-[2-(5-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine is sourced from PubChem (CID 82477362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).