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

C14H16Br2N2O — CID 79236475

IUPAC1-(2,4-dibromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
SMILESCc1noc(C)c1CNC(C)c1ccc(Br)cc1Br
InChIInChI=1S/C14H16Br2N2O/c1-8(12-5-4-11(15)6-14(12)16)17-7-13-9(2)18-19-10(13)3/h4-6,8,17H,7H2,1-3H3
InChIKeyNQDDUMHZPHVNQN-UHFFFAOYSA-N
MW388.10 g/mol
LogP4.67
Rot. Bonds4

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

1-(2,4-dibromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine (PubChem CID 79236475) has the molecular formula C14H16Br2N2O and a molecular weight of 388.10 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
PubChem CID79236475
Molecular FormulaC14H16Br2N2O
Molecular Weight388.10 g/mol
Exact Mass385.96
IUPAC Name1-(2,4-dibromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
SMILESCc1noc(C)c1CNC(C)c1ccc(Br)cc1Br
InChIInChI=1S/C14H16Br2N2O/c1-8(12-5-4-11(15)6-14(12)16)17-7-13-9(2)18-19-10(13)3/h4-6,8,17H,7H2,1-3H3
InChIKeyNQDDUMHZPHVNQN-UHFFFAOYSA-N
XLogP4.67
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.10
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 81383318
1-(2,4-dibromophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 106391621
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-5-fluorophenol
CID 79236061
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43223377
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-ethoxyphenyl)ethanamine
CID 79237158
1-[4-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 102947520
1-(2,4-dibromophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 106368846
N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
CID 55191985
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 43183580
1-(2,4-dibromophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61282639
N-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 60781144
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylethanamine
CID 43183550

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dibromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine (CID 79236475) is 1-(2,4-dibromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dibromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine is Cc1noc(C)c1CNC(C)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine?
The InChIKey is NQDDUMHZPHVNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2O/c1-8(12-5-4-11(15)6-14(12)16)17-7-13-9(2)18-19-10(13)3/h4-6,8,17H,7H2,1-3H3.
What are the key properties of 1-(2,4-dibromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine?
1-(2,4-dibromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine has a molecular weight of 388.10 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 79236475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).