5-(4-bromophenyl)-3-methyl-4-[(E)-4-phenylbut-1-enyl]-1,2-oxazole

C20H18BrNO — CID 66578467

IUPAC5-(4-bromophenyl)-3-methyl-4-[(E)-4-phenylbut-1-enyl]-1,2-oxazole
SMILESCc1noc(-c2ccc(Br)cc2)c1/C=C/CCc1ccccc1
InChIInChI=1S/C20H18BrNO/c1-15-19(10-6-5-9-16-7-3-2-4-8-16)20(23-22-15)17-11-13-18(21)14-12-17/h2-4,6-8,10-14H,5,9H2,1H3/b10-6+
InChIKeyADGFGBISGXRJDT-UXBLZVDNSA-N
MW368.27 g/mol
LogP6.06
Rot. Bonds5

About 5-(4-bromophenyl)-3-methyl-4-[(E)-4-phenylbut-1-enyl]-1,2-oxazole

5-(4-bromophenyl)-3-methyl-4-[(E)-4-phenylbut-1-enyl]-1,2-oxazole (PubChem CID 66578467) has the molecular formula C20H18BrNO and a molecular weight of 368.27 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-methyl-4-[(E)-4-phenylbut-1-enyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-methyl-4-[(E)-4-phenylbut-1-enyl]-1,2-oxazole
PubChem CID66578467
Molecular FormulaC20H18BrNO
Molecular Weight368.27 g/mol
Exact Mass367.06
IUPAC Name5-(4-bromophenyl)-3-methyl-4-[(E)-4-phenylbut-1-enyl]-1,2-oxazole
SMILESCc1noc(-c2ccc(Br)cc2)c1/C=C/CCc1ccccc1
InChIInChI=1S/C20H18BrNO/c1-15-19(10-6-5-9-16-7-3-2-4-8-16)20(23-22-15)17-11-13-18(21)14-12-17/h2-4,6-8,10-14H,5,9H2,1H3/b10-6+
InChIKeyADGFGBISGXRJDT-UXBLZVDNSA-N
XLogP6.06
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.27
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-bromophenyl)-3-methyl-4-(4-phenylbut-1-enyl)-1,2-oxazole
CID 66578468
cis-ethyl (1R,2S)-2-[4-[4-[3-methyl-4-(4-phenylbut-1-enyl)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66578565
3-methyl-4-[(E)-4-phenylpent-1-enyl]-5-(4-phenylphenyl)-1,2-oxazole
CID 141296022
N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine
CID 66578224
1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-4-phenylbut-3-en-1-ol
CID 67092921
N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-N-(2-phenylethyl)acetamide
CID 66578409
3-methyl-5-(4-propylphenyl)-1,2-oxazole-4-carbaldehyde
CID 82128389
4-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-4-phenylbutanal
CID 87057623
(E)-4-(4-benzylphenyl)-4-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]but-3-en-1-ol
CID 66577744
5-(4-bromophenyl)-4-[5-(3,4-dichlorophenyl)pent-4-enyl]-3-methyl-1,2-oxazole
CID 77147412
2-benzyl-5-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1,3,4-oxadiazole
CID 66577754
5-(4-bromophenyl)-3-methyl-4-prop-2-enyl-1,2-oxazole
CID 66577235

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-methyl-4-[(E)-4-phenylbut-1-enyl]-1,2-oxazole?
The IUPAC name of 5-(4-bromophenyl)-3-methyl-4-[(E)-4-phenylbut-1-enyl]-1,2-oxazole (CID 66578467) is 5-(4-bromophenyl)-3-methyl-4-[(E)-4-phenylbut-1-enyl]-1,2-oxazole.
What is the SMILES notation for 5-(4-bromophenyl)-3-methyl-4-[(E)-4-phenylbut-1-enyl]-1,2-oxazole?
The canonical SMILES for 5-(4-bromophenyl)-3-methyl-4-[(E)-4-phenylbut-1-enyl]-1,2-oxazole is Cc1noc(-c2ccc(Br)cc2)c1/C=C/CCc1ccccc1.
What is the InChIKey of 5-(4-bromophenyl)-3-methyl-4-[(E)-4-phenylbut-1-enyl]-1,2-oxazole?
The InChIKey is ADGFGBISGXRJDT-UXBLZVDNSA-N. The full InChI is InChI=1S/C20H18BrNO/c1-15-19(10-6-5-9-16-7-3-2-4-8-16)20(23-22-15)17-11-13-18(21)14-12-17/h2-4,6-8,10-14H,5,9H2,1H3/b10-6+.
What are the key properties of 5-(4-bromophenyl)-3-methyl-4-[(E)-4-phenylbut-1-enyl]-1,2-oxazole?
5-(4-bromophenyl)-3-methyl-4-[(E)-4-phenylbut-1-enyl]-1,2-oxazole has a molecular weight of 368.27 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-methyl-4-[(E)-4-phenylbut-1-enyl]-1,2-oxazole is sourced from PubChem (CID 66578467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).