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

C14H16F2N2O — CID 103913139

IUPAC1-(2,5-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1nc(CNC(C)c2cc(F)ccc2F)oc1C
InChIInChI=1S/C14H16F2N2O/c1-8-10(3)19-14(18-8)7-17-9(2)12-6-11(15)4-5-13(12)16/h4-6,9,17H,7H2,1-3H3
InChIKeyNYEJENSZEOESHF-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.42
Rot. Bonds4

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

1-(2,5-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine (PubChem CID 103913139) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
PubChem CID103913139
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name1-(2,5-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1nc(CNC(C)c2cc(F)ccc2F)oc1C
InChIInChI=1S/C14H16F2N2O/c1-8-10(3)19-14(18-8)7-17-9(2)12-6-11(15)4-5-13(12)16/h4-6,9,17H,7H2,1-3H3
InChIKeyNYEJENSZEOESHF-UHFFFAOYSA-N
XLogP3.42
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-fluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 106370500
1-(2,4-dichloro-5-fluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103912719
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 106370395
1-(2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 54964828
1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43674183
1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 106370599
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluorophenyl)propan-2-amine
CID 102673147
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106370665
1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943659
1-(2,5-difluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43433814
1-(2,4-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913157
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine (CID 103913139) is 1-(2,5-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine is Cc1nc(CNC(C)c2cc(F)ccc2F)oc1C.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The InChIKey is NYEJENSZEOESHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c1-8-10(3)19-14(18-8)7-17-9(2)12-6-11(15)4-5-13(12)16/h4-6,9,17H,7H2,1-3H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
1-(2,5-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine has a molecular weight of 266.29 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 103913139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).