[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-(3-phenylphenyl)methanol

C23H18BrNO2 — CID 66577726

IUPAC[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-(3-phenylphenyl)methanol
SMILESCc1noc(-c2ccc(Br)cc2)c1C(O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H18BrNO2/c1-15-21(23(27-25-15)17-10-12-20(24)13-11-17)22(26)19-9-5-8-18(14-19)16-6-3-2-4-7-16/h2-14,22,26H,1H3
InChIKeyVDUXMKGZTAAYIJ-UHFFFAOYSA-N
MW420.31 g/mol
LogP6.16
Rot. Bonds4

About [5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-(3-phenylphenyl)methanol

[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-(3-phenylphenyl)methanol (PubChem CID 66577726) has the molecular formula C23H18BrNO2 and a molecular weight of 420.31 g/mol. Its IUPAC name is [5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-(3-phenylphenyl)methanol.

Molecular Properties

Compound Name[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-(3-phenylphenyl)methanol
PubChem CID66577726
Molecular FormulaC23H18BrNO2
Molecular Weight420.31 g/mol
Exact Mass419.05
IUPAC Name[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-(3-phenylphenyl)methanol
SMILESCc1noc(-c2ccc(Br)cc2)c1C(O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H18BrNO2/c1-15-21(23(27-25-15)17-10-12-20(24)13-11-17)22(26)19-9-5-8-18(14-19)16-6-3-2-4-7-16/h2-14,22,26H,1H3
InChIKeyVDUXMKGZTAAYIJ-UHFFFAOYSA-N
XLogP6.16
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.31
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-(3-phenylphenyl)methanol?
The IUPAC name of [5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-(3-phenylphenyl)methanol (CID 66577726) is [5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-(3-phenylphenyl)methanol.
What is the SMILES notation for [5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-(3-phenylphenyl)methanol?
The canonical SMILES for [5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-(3-phenylphenyl)methanol is Cc1noc(-c2ccc(Br)cc2)c1C(O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of [5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-(3-phenylphenyl)methanol?
The InChIKey is VDUXMKGZTAAYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrNO2/c1-15-21(23(27-25-15)17-10-12-20(24)13-11-17)22(26)19-9-5-8-18(14-19)16-6-3-2-4-7-16/h2-14,22,26H,1H3.
What are the key properties of [5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-(3-phenylphenyl)methanol?
[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-(3-phenylphenyl)methanol has a molecular weight of 420.31 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-(3-phenylphenyl)methanol is sourced from PubChem (CID 66577726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).