2-(3,5-difluorophenyl)-N-(1,2-oxazol-4-ylmethyl)ethanamine

C12H12F2N2O — CID 62603701

IUPAC2-(3,5-difluorophenyl)-N-(1,2-oxazol-4-ylmethyl)ethanamine
SMILESFc1cc(F)cc(CCNCc2cnoc2)c1
InChIInChI=1S/C12H12F2N2O/c13-11-3-9(4-12(14)5-11)1-2-15-6-10-7-16-17-8-10/h3-5,7-8,15H,1-2,6H2
InChIKeyICYCDZQDEZVHSQ-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.29
Rot. Bonds5

About 2-(3,5-difluorophenyl)-N-(1,2-oxazol-4-ylmethyl)ethanamine

2-(3,5-difluorophenyl)-N-(1,2-oxazol-4-ylmethyl)ethanamine (PubChem CID 62603701) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-(1,2-oxazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-(1,2-oxazol-4-ylmethyl)ethanamine
PubChem CID62603701
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name2-(3,5-difluorophenyl)-N-(1,2-oxazol-4-ylmethyl)ethanamine
SMILESFc1cc(F)cc(CCNCc2cnoc2)c1
InChIInChI=1S/C12H12F2N2O/c13-11-3-9(4-12(14)5-11)1-2-15-6-10-7-16-17-8-10/h3-5,7-8,15H,1-2,6H2
InChIKeyICYCDZQDEZVHSQ-UHFFFAOYSA-N
XLogP2.29
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-difluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104751434
2-(3,5-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 62316403
N-(1,2-oxazol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62989600
3-(1,2-oxazol-4-ylmethylamino)propanamide
CID 60869054
N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62315704
2-[2-(3,5-difluorophenyl)ethylamino]ethanol
CID 62603879
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62615069
2-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 62317287
N-[(4,5-dibromofuran-2-yl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62604246
2-(3,5-difluorophenyl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine
CID 66415967
2-(2,6-dichloro-4-fluorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 118342869
2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 62315705

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-(1,2-oxazol-4-ylmethyl)ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-N-(1,2-oxazol-4-ylmethyl)ethanamine (CID 62603701) is 2-(3,5-difluorophenyl)-N-(1,2-oxazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-(1,2-oxazol-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-(1,2-oxazol-4-ylmethyl)ethanamine is Fc1cc(F)cc(CCNCc2cnoc2)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-(1,2-oxazol-4-ylmethyl)ethanamine?
The InChIKey is ICYCDZQDEZVHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c13-11-3-9(4-12(14)5-11)1-2-15-6-10-7-16-17-8-10/h3-5,7-8,15H,1-2,6H2.
What are the key properties of 2-(3,5-difluorophenyl)-N-(1,2-oxazol-4-ylmethyl)ethanamine?
2-(3,5-difluorophenyl)-N-(1,2-oxazol-4-ylmethyl)ethanamine has a molecular weight of 238.24 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-(1,2-oxazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 62603701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).