2-[3,5-difluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine

C12H12F2N2O2 — CID 79888305

IUPAC2-[3,5-difluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
SMILESNCCc1cc(F)c(OCc2ccno2)c(F)c1
InChIInChI=1S/C12H12F2N2O2/c13-10-5-8(1-3-15)6-11(14)12(10)17-7-9-2-4-16-18-9/h2,4-6H,1,3,7,15H2
InChIKeyIAHHQKNZNIDRRS-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.03
Rot. Bonds5

About 2-[3,5-difluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine

2-[3,5-difluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine (PubChem CID 79888305) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-[3,5-difluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-difluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
PubChem CID79888305
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name2-[3,5-difluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
SMILESNCCc1cc(F)c(OCc2ccno2)c(F)c1
InChIInChI=1S/C12H12F2N2O2/c13-10-5-8(1-3-15)6-11(14)12(10)17-7-9-2-4-16-18-9/h2,4-6H,1,3,7,15H2
InChIKeyIAHHQKNZNIDRRS-UHFFFAOYSA-N
XLogP2.03
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3,5-difluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79882250
2-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]ethanamine
CID 80694644
1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686603
2-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79888610
2-[4-[(4-bromo-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79882262
2-[2-chloro-6-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 114321413
[3-bromo-4-(1,2-oxazol-5-ylmethoxy)phenyl]methanamine
CID 63047028
2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 102858122
2-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79887516
3,5-dimethyl-4-(1,2-oxazol-5-ylmethoxy)benzaldehyde
CID 28838332
2-[3,5-difluoro-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 79881908
3,5-dibromo-4-(1,2-oxazol-5-ylmethoxy)benzaldehyde
CID 107738404

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3,5-difluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine (CID 79888305) is 2-[3,5-difluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3,5-difluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3,5-difluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine is NCCc1cc(F)c(OCc2ccno2)c(F)c1.
What is the InChIKey of 2-[3,5-difluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine?
The InChIKey is IAHHQKNZNIDRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c13-10-5-8(1-3-15)6-11(14)12(10)17-7-9-2-4-16-18-9/h2,4-6H,1,3,7,15H2.
What are the key properties of 2-[3,5-difluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine?
2-[3,5-difluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine has a molecular weight of 254.24 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 79888305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).