4-(4-bromophenyl)-2-tert-butyl-1,3-oxazole

C13H14BrNO — CID 119082880

IUPAC4-(4-bromophenyl)-2-tert-butyl-1,3-oxazole
SMILESCC(C)(C)c1nc(-c2ccc(Br)cc2)co1
InChIInChI=1S/C13H14BrNO/c1-13(2,3)12-15-11(8-16-12)9-4-6-10(14)7-5-9/h4-8H,1-3H3
InChIKeyXXWPKAVJRYPYRS-UHFFFAOYSA-N
MW280.17 g/mol
LogP4.40
Rot. Bonds1

About 4-(4-bromophenyl)-2-tert-butyl-1,3-oxazole

4-(4-bromophenyl)-2-tert-butyl-1,3-oxazole (PubChem CID 119082880) has the molecular formula C13H14BrNO and a molecular weight of 280.17 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-tert-butyl-1,3-oxazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-tert-butyl-1,3-oxazole
PubChem CID119082880
Molecular FormulaC13H14BrNO
Molecular Weight280.17 g/mol
Exact Mass279.03
IUPAC Name4-(4-bromophenyl)-2-tert-butyl-1,3-oxazole
SMILESCC(C)(C)c1nc(-c2ccc(Br)cc2)co1
InChIInChI=1S/C13H14BrNO/c1-13(2,3)12-15-11(8-16-12)9-4-6-10(14)7-5-9/h4-8H,1-3H3
InChIKeyXXWPKAVJRYPYRS-UHFFFAOYSA-N
XLogP4.40
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-tert-butyl-1,3-oxazol-4-yl)-2-fluoroaniline
CID 115040112
[4-(4-bromophenyl)-1,3-oxazol-2-yl]methanamine
CID 82298406
2-(4-bromophenyl)-4,6-bis(4-tert-butylphenyl)pyrimidine
CID 118642287
4-(4-bromophenyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole;ethane;methyl cyclohexanecarboxylate
CID 144828346
4-(4-bromophenyl)-2-tert-butyl-1-methylimidazole
CID 58970273
2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 67335182
2-bromo-4-(4-propan-2-ylphenyl)-1,3-oxazole
CID 102974645
N-(4-bromophenyl)-4-phenyl-1,3-oxazol-2-amine
CID 12589654
2-(6-bromonaphthalen-2-yl)-5-tert-butyl-1,3,4-oxadiazole
CID 115353901
(4-bromophenyl)-tert-butyl-dimethylsilane
CID 15446452
2-[4-(4-bromophenyl)pyrimidin-2-yl]propan-2-amine
CID 116897638
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61267111

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-tert-butyl-1,3-oxazole?
The IUPAC name of 4-(4-bromophenyl)-2-tert-butyl-1,3-oxazole (CID 119082880) is 4-(4-bromophenyl)-2-tert-butyl-1,3-oxazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-tert-butyl-1,3-oxazole?
The canonical SMILES for 4-(4-bromophenyl)-2-tert-butyl-1,3-oxazole is CC(C)(C)c1nc(-c2ccc(Br)cc2)co1.
What is the InChIKey of 4-(4-bromophenyl)-2-tert-butyl-1,3-oxazole?
The InChIKey is XXWPKAVJRYPYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-13(2,3)12-15-11(8-16-12)9-4-6-10(14)7-5-9/h4-8H,1-3H3.
What are the key properties of 4-(4-bromophenyl)-2-tert-butyl-1,3-oxazole?
4-(4-bromophenyl)-2-tert-butyl-1,3-oxazole has a molecular weight of 280.17 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-tert-butyl-1,3-oxazole is sourced from PubChem (CID 119082880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).