2-(2-bromophenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole

C16H16BrN3O — CID 56675979

IUPAC2-(2-bromophenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCCc1nc(C)cn1Cc1coc(-c2ccccc2Br)n1
InChIInChI=1S/C16H16BrN3O/c1-3-15-18-11(2)8-20(15)9-12-10-21-16(19-12)13-6-4-5-7-14(13)17/h4-8,10H,3,9H2,1-2H3
InChIKeyDNMWSXYDERXIPI-UHFFFAOYSA-N
MW346.23 g/mol
LogP4.22
Rot. Bonds4

About 2-(2-bromophenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole

2-(2-bromophenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole (PubChem CID 56675979) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole
PubChem CID56675979
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name2-(2-bromophenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCCc1nc(C)cn1Cc1coc(-c2ccccc2Br)n1
InChIInChI=1S/C16H16BrN3O/c1-3-15-18-11(2)8-20(15)9-12-10-21-16(19-12)13-6-4-5-7-14(13)17/h4-8,10H,3,9H2,1-2H3
InChIKeyDNMWSXYDERXIPI-UHFFFAOYSA-N
XLogP4.22
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288314
2-(2-bromophenyl)-4-[[(3Z)-3-propylidenepyrrolidin-1-yl]methyl]-1,3-oxazole
CID 167915972
4-[(4-benzhydrylpiperazin-1-yl)methyl]-2-(2-bromophenyl)-1,3-oxazole
CID 56658643
N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine
CID 56672843
N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-3,3-dimethylbutan-2-amine
CID 56662054
N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-methoxypropan-2-amine
CID 56658481
N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-2-phenylpropan-1-amine
CID 56665841
2-(2-chlorophenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole
CID 56672942
4-[(4-ethylpiperazin-1-yl)methyl]-2-(2-methylphenyl)-1,3-oxazole
CID 56675974
N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]cyclododecanamine
CID 56669725
[2-(2-methylphenyl)-1,3-oxazol-4-yl]methanol
CID 55255073
(1-benzyl-4-methylimidazol-2-yl)methanamine
CID 130214981

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(2-bromophenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole (CID 56675979) is 2-(2-bromophenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(2-bromophenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(2-bromophenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole is CCc1nc(C)cn1Cc1coc(-c2ccccc2Br)n1.
What is the InChIKey of 2-(2-bromophenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is DNMWSXYDERXIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c1-3-15-18-11(2)8-20(15)9-12-10-21-16(19-12)13-6-4-5-7-14(13)17/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole?
2-(2-bromophenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 346.23 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-[(2-ethyl-4-methylimidazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56675979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).