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

C13H14F2N2O — CID 60713930

IUPAC1-(3,4-difluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
SMILESCc1cc(CNC(C)c2ccc(F)c(F)c2)on1
InChIInChI=1S/C13H14F2N2O/c1-8-5-11(18-17-8)7-16-9(2)10-3-4-12(14)13(15)6-10/h3-6,9,16H,7H2,1-2H3
InChIKeyJNJUDIHYGDHNOA-UHFFFAOYSA-N
MW252.26 g/mol
LogP3.11
Rot. Bonds4

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

1-(3,4-difluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine (PubChem CID 60713930) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
PubChem CID60713930
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name1-(3,4-difluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
SMILESCc1cc(CNC(C)c2ccc(F)c(F)c2)on1
InChIInChI=1S/C13H14F2N2O/c1-8-5-11(18-17-8)7-16-9(2)10-3-4-12(14)13(15)6-10/h3-6,9,16H,7H2,1-2H3
InChIKeyJNJUDIHYGDHNOA-UHFFFAOYSA-N
XLogP3.11
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-3-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 82993682
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylethanamine
CID 60713961
1-(4-ethylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60719398
1-(3,4-difluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
CID 60694808
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylethanamine
CID 62091240
1-(2,4-dichlorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60719338
1-(3,4-difluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43223863
3-[1-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]benzenesulfonamide
CID 60720836
1-(3,4-difluorophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62121099
1-(3,4-difluorophenyl)-N-[(2,6-dimethylphenyl)methyl]ethanamine
CID 81301146
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 93247266
5-[[1-(3,4-difluorophenyl)ethylamino]methyl]furan-2-carboxylic acid
CID 63316735

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine (CID 60713930) is 1-(3,4-difluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine is Cc1cc(CNC(C)c2ccc(F)c(F)c2)on1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine?
The InChIKey is JNJUDIHYGDHNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-8-5-11(18-17-8)7-16-9(2)10-3-4-12(14)13(15)6-10/h3-6,9,16H,7H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine?
1-(3,4-difluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine has a molecular weight of 252.26 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 60713930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).