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

C11H10F2N2O — CID 82287308

IUPAC2-[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]ethanamine
SMILESNCCc1cnoc1-c1ccc(F)c(F)c1
InChIInChI=1S/C11H10F2N2O/c12-9-2-1-7(5-10(9)13)11-8(3-4-14)6-15-16-11/h1-2,5-6H,3-4,14H2
InChIKeyICKJKMKFPYHOJV-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.12
Rot. Bonds3

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

2-[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]ethanamine (PubChem CID 82287308) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]ethanamine
PubChem CID82287308
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name2-[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]ethanamine
SMILESNCCc1cnoc1-c1ccc(F)c(F)c1
InChIInChI=1S/C11H10F2N2O/c12-9-2-1-7(5-10(9)13)11-8(3-4-14)6-15-16-11/h1-2,5-6H,3-4,14H2
InChIKeyICKJKMKFPYHOJV-UHFFFAOYSA-N
XLogP2.12
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-methoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanamine
CID 82289584
2-[5-[4-(2-methylpropyl)phenyl]-1,2-oxazol-4-yl]ethanamine
CID 95456693
2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336064
N-tert-butyl-5-(3,4-difluorophenyl)-1,2-oxazole-4-carboxamide
CID 110649198
2-[5-(5-methyl-1H-pyrazol-3-yl)-1,2-oxazol-4-yl]ethanamine
CID 131522740
4-bromo-5-(3,4-difluorophenyl)-1,2-oxazol-3-amine
CID 79556113
N-[[5-(3-bromo-4-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-2-amine
CID 65239484
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine
CID 82290574
N-[[5-(3-bromo-4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpropan-1-amine
CID 65240288
[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol
CID 97032664
5-(3,4-difluorophenyl)-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
CID 110648349
2-[5-(2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine
CID 82285402

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]ethanamine?
The IUPAC name of 2-[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]ethanamine (CID 82287308) is 2-[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]ethanamine is NCCc1cnoc1-c1ccc(F)c(F)c1.
What is the InChIKey of 2-[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]ethanamine?
The InChIKey is ICKJKMKFPYHOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c12-9-2-1-7(5-10(9)13)11-8(3-4-14)6-15-16-11/h1-2,5-6H,3-4,14H2.
What are the key properties of 2-[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]ethanamine?
2-[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]ethanamine has a molecular weight of 224.21 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]ethanamine is sourced from PubChem (CID 82287308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).