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

C14H16BrClN2O — CID 106370599

IUPAC1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1nc(CNC(C)c2ccc(Br)cc2Cl)oc1C
InChIInChI=1S/C14H16BrClN2O/c1-8-10(3)19-14(18-8)7-17-9(2)12-5-4-11(15)6-13(12)16/h4-6,9,17H,7H2,1-3H3
InChIKeyUSSOGOAYGOYBSF-UHFFFAOYSA-N
MW343.65 g/mol
LogP4.56
Rot. Bonds4

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

1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine (PubChem CID 106370599) has the molecular formula C14H16BrClN2O and a molecular weight of 343.65 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
PubChem CID106370599
Molecular FormulaC14H16BrClN2O
Molecular Weight343.65 g/mol
Exact Mass342.01
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1nc(CNC(C)c2ccc(Br)cc2Cl)oc1C
InChIInChI=1S/C14H16BrClN2O/c1-8-10(3)19-14(18-8)7-17-9(2)12-5-4-11(15)6-13(12)16/h4-6,9,17H,7H2,1-3H3
InChIKeyUSSOGOAYGOYBSF-UHFFFAOYSA-N
XLogP4.56
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.65
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 54964828
1-(4-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 54965551
1-(2,4-dichloro-5-fluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103912719
1-(2-bromo-4-fluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 106370500
1-(2,5-dichlorothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 114180137
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 106370395
5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline
CID 55132827
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106370665
1-(2,5-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913139
1-(2,4-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913157
1-(4-bromo-2-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 82774819
2-[[1-(4-bromo-2-chlorophenyl)ethylamino]methyl]phenol
CID 114331621

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine (CID 106370599) is 1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine is Cc1nc(CNC(C)c2ccc(Br)cc2Cl)oc1C.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The InChIKey is USSOGOAYGOYBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O/c1-8-10(3)19-14(18-8)7-17-9(2)12-5-4-11(15)6-13(12)16/h4-6,9,17H,7H2,1-3H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine has a molecular weight of 343.65 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 106370599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).