[3-(4-bromophenyl)-5-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol

C19H18BrNO2 — CID 131868091

IUPAC[3-(4-bromophenyl)-5-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol
SMILESCC(C)c1ccc(-c2onc(-c3ccc(Br)cc3)c2CO)cc1
InChIInChI=1S/C19H18BrNO2/c1-12(2)13-3-5-15(6-4-13)19-17(11-22)18(21-23-19)14-7-9-16(20)10-8-14/h3-10,12,22H,11H2,1-2H3
InChIKeyYUSMBGLXIMMBSW-UHFFFAOYSA-N
MW372.26 g/mol
LogP5.39
Rot. Bonds4

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

[3-(4-bromophenyl)-5-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 131868091) has the molecular formula C19H18BrNO2 and a molecular weight of 372.26 g/mol. Its IUPAC name is [3-(4-bromophenyl)-5-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-bromophenyl)-5-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol
PubChem CID131868091
Molecular FormulaC19H18BrNO2
Molecular Weight372.26 g/mol
Exact Mass371.05
IUPAC Name[3-(4-bromophenyl)-5-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol
SMILESCC(C)c1ccc(-c2onc(-c3ccc(Br)cc3)c2CO)cc1
InChIInChI=1S/C19H18BrNO2/c1-12(2)13-3-5-15(6-4-13)19-17(11-22)18(21-23-19)14-7-9-16(20)10-8-14/h3-10,12,22H,11H2,1-2H3
InChIKeyYUSMBGLXIMMBSW-UHFFFAOYSA-N
XLogP5.39
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.26
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867826
[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol
CID 82128657
[5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol
CID 131868430
[5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866841
[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867191
[5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867975
4-ethyl-5-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 66199437
[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine
CID 82128528
[5-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868413
[3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 131866937
[5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 131868158
[3-(3-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131867751

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)-5-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(4-bromophenyl)-5-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol (CID 131868091) is [3-(4-bromophenyl)-5-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(4-bromophenyl)-5-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(4-bromophenyl)-5-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol is CC(C)c1ccc(-c2onc(-c3ccc(Br)cc3)c2CO)cc1.
What is the InChIKey of [3-(4-bromophenyl)-5-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is YUSMBGLXIMMBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO2/c1-12(2)13-3-5-15(6-4-13)19-17(11-22)18(21-23-19)14-7-9-16(20)10-8-14/h3-10,12,22H,11H2,1-2H3.
What are the key properties of [3-(4-bromophenyl)-5-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol?
[3-(4-bromophenyl)-5-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 372.26 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)-5-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131868091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).