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

C14H16BrFN2O — CID 106370500

IUPAC1-(2-bromo-4-fluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1nc(CNC(C)c2ccc(F)cc2Br)oc1C
InChIInChI=1S/C14H16BrFN2O/c1-8-10(3)19-14(18-8)7-17-9(2)12-5-4-11(16)6-13(12)15/h4-6,9,17H,7H2,1-3H3
InChIKeyLVYLIAWZJUUULX-UHFFFAOYSA-N
MW327.20 g/mol
LogP4.04
Rot. Bonds4

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

1-(2-bromo-4-fluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine (PubChem CID 106370500) has the molecular formula C14H16BrFN2O and a molecular weight of 327.20 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
PubChem CID106370500
Molecular FormulaC14H16BrFN2O
Molecular Weight327.20 g/mol
Exact Mass326.04
IUPAC Name1-(2-bromo-4-fluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1nc(CNC(C)c2ccc(F)cc2Br)oc1C
InChIInChI=1S/C14H16BrFN2O/c1-8-10(3)19-14(18-8)7-17-9(2)12-5-4-11(16)6-13(12)15/h4-6,9,17H,7H2,1-3H3
InChIKeyLVYLIAWZJUUULX-UHFFFAOYSA-N
XLogP4.04
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913139
1-(2-bromo-4-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 103781428
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-(2,4,5-trimethylphenyl)ethanamine
CID 106370395
1-(2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 54964828
1-(2,4-dichloro-5-fluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103912719
1-(4-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 54965551
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106370665
1-(2-bromo-4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 103778055
N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine
CID 103775782
1-(2,4-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913157
1-(2-bromo-4-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 103776784

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine (CID 106370500) is 1-(2-bromo-4-fluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine is Cc1nc(CNC(C)c2ccc(F)cc2Br)oc1C.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The InChIKey is LVYLIAWZJUUULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O/c1-8-10(3)19-14(18-8)7-17-9(2)12-5-4-11(16)6-13(12)15/h4-6,9,17H,7H2,1-3H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
1-(2-bromo-4-fluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine has a molecular weight of 327.20 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 106370500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).