5-bromo-4-(4-tert-butylphenyl)-2-methyl-1,3-oxazole

C14H16BrNO — CID 82134975

IUPAC5-bromo-4-(4-tert-butylphenyl)-2-methyl-1,3-oxazole
SMILESCc1nc(-c2ccc(C(C)(C)C)cc2)c(Br)o1
InChIInChI=1S/C14H16BrNO/c1-9-16-12(13(15)17-9)10-5-7-11(8-6-10)14(2,3)4/h5-8H,1-4H3
InChIKeyBNWPRBAASDSGEP-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.71
Rot. Bonds1

About 5-bromo-4-(4-tert-butylphenyl)-2-methyl-1,3-oxazole

5-bromo-4-(4-tert-butylphenyl)-2-methyl-1,3-oxazole (PubChem CID 82134975) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 5-bromo-4-(4-tert-butylphenyl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-bromo-4-(4-tert-butylphenyl)-2-methyl-1,3-oxazole
PubChem CID82134975
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name5-bromo-4-(4-tert-butylphenyl)-2-methyl-1,3-oxazole
SMILESCc1nc(-c2ccc(C(C)(C)C)cc2)c(Br)o1
InChIInChI=1S/C14H16BrNO/c1-9-16-12(13(15)17-9)10-5-7-11(8-6-10)14(2,3)4/h5-8H,1-4H3
InChIKeyBNWPRBAASDSGEP-UHFFFAOYSA-N
XLogP4.71
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-bis(4-tert-butylphenyl)-3,6-dimethylpyrazine
CID 143714645
2-methyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 57159559
2-bromo-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 170722335
[5-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methanol
CID 70981004
[2-bromo-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanol
CID 131867651
5-bromo-4-(4-tert-butylphenyl)-1,3-thiazole
CID 82135048
2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 67335182
1-tert-butyl-4-methylbenzene
CID 163486601
3,5-bis[4-(4-tert-butylphenyl)phenyl]-1,2,4-oxadiazole
CID 23379869
3-(bromomethyl)-6-(4-tert-butylphenyl)-2-methylpyridine
CID 67155949
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
4-(4-bromophenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 10691278

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-tert-butylphenyl)-2-methyl-1,3-oxazole?
The IUPAC name of 5-bromo-4-(4-tert-butylphenyl)-2-methyl-1,3-oxazole (CID 82134975) is 5-bromo-4-(4-tert-butylphenyl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-bromo-4-(4-tert-butylphenyl)-2-methyl-1,3-oxazole?
The canonical SMILES for 5-bromo-4-(4-tert-butylphenyl)-2-methyl-1,3-oxazole is Cc1nc(-c2ccc(C(C)(C)C)cc2)c(Br)o1.
What is the InChIKey of 5-bromo-4-(4-tert-butylphenyl)-2-methyl-1,3-oxazole?
The InChIKey is BNWPRBAASDSGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-9-16-12(13(15)17-9)10-5-7-11(8-6-10)14(2,3)4/h5-8H,1-4H3.
What are the key properties of 5-bromo-4-(4-tert-butylphenyl)-2-methyl-1,3-oxazole?
5-bromo-4-(4-tert-butylphenyl)-2-methyl-1,3-oxazole has a molecular weight of 294.19 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-tert-butylphenyl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 82134975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).