1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-4-phenylbut-3-en-1-ol

C20H18BrNO2 — CID 67092921

IUPAC1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-4-phenylbut-3-en-1-ol
SMILESCc1noc(-c2ccc(Br)cc2)c1C(O)CC=Cc1ccccc1
InChIInChI=1S/C20H18BrNO2/c1-14-19(18(23)9-5-8-15-6-3-2-4-7-15)20(24-22-14)16-10-12-17(21)13-11-16/h2-8,10-13,18,23H,9H2,1H3
InChIKeyYVHVVKYXWISWMT-UHFFFAOYSA-N
MW384.27 g/mol
LogP5.55
Rot. Bonds5

About 1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-4-phenylbut-3-en-1-ol

1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-4-phenylbut-3-en-1-ol (PubChem CID 67092921) has the molecular formula C20H18BrNO2 and a molecular weight of 384.27 g/mol. Its IUPAC name is 1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-4-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-4-phenylbut-3-en-1-ol
PubChem CID67092921
Molecular FormulaC20H18BrNO2
Molecular Weight384.27 g/mol
Exact Mass383.05
IUPAC Name1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-4-phenylbut-3-en-1-ol
SMILESCc1noc(-c2ccc(Br)cc2)c1C(O)CC=Cc1ccccc1
InChIInChI=1S/C20H18BrNO2/c1-14-19(18(23)9-5-8-15-6-3-2-4-7-15)20(24-22-14)16-10-12-17(21)13-11-16/h2-8,10-13,18,23H,9H2,1H3
InChIKeyYVHVVKYXWISWMT-UHFFFAOYSA-N
XLogP5.55
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-4-phenylbut-3-en-1-ol?
The IUPAC name of 1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-4-phenylbut-3-en-1-ol (CID 67092921) is 1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-4-phenylbut-3-en-1-ol.
What is the SMILES notation for 1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-4-phenylbut-3-en-1-ol?
The canonical SMILES for 1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-4-phenylbut-3-en-1-ol is Cc1noc(-c2ccc(Br)cc2)c1C(O)CC=Cc1ccccc1.
What is the InChIKey of 1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-4-phenylbut-3-en-1-ol?
The InChIKey is YVHVVKYXWISWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO2/c1-14-19(18(23)9-5-8-15-6-3-2-4-7-15)20(24-22-14)16-10-12-17(21)13-11-16/h2-8,10-13,18,23H,9H2,1H3.
What are the key properties of 1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-4-phenylbut-3-en-1-ol?
1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-4-phenylbut-3-en-1-ol has a molecular weight of 384.27 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-4-phenylbut-3-en-1-ol is sourced from PubChem (CID 67092921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).