2-(5-bromo-2-fluorophenyl)-5-methyl-1,3-benzoxazole

C14H9BrFNO — CID 69068751

IUPAC2-(5-bromo-2-fluorophenyl)-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(-c3cc(Br)ccc3F)nc2c1
InChIInChI=1S/C14H9BrFNO/c1-8-2-5-13-12(6-8)17-14(18-13)10-7-9(15)3-4-11(10)16/h2-7H,1H3
InChIKeyYDAUPNVKXUYPQC-UHFFFAOYSA-N
MW306.13 g/mol
LogP4.70
Rot. Bonds1

About 2-(5-bromo-2-fluorophenyl)-5-methyl-1,3-benzoxazole

2-(5-bromo-2-fluorophenyl)-5-methyl-1,3-benzoxazole (PubChem CID 69068751) has the molecular formula C14H9BrFNO and a molecular weight of 306.13 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-5-methyl-1,3-benzoxazole
PubChem CID69068751
Molecular FormulaC14H9BrFNO
Molecular Weight306.13 g/mol
Exact Mass304.99
IUPAC Name2-(5-bromo-2-fluorophenyl)-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(-c3cc(Br)ccc3F)nc2c1
InChIInChI=1S/C14H9BrFNO/c1-8-2-5-13-12(6-8)17-14(18-13)10-7-9(15)3-4-11(10)16/h2-7H,1H3
InChIKeyYDAUPNVKXUYPQC-UHFFFAOYSA-N
XLogP4.70
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.13
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-chlorophenyl)-5-methyl-1,3-benzoxazole
CID 17307933
4-fluoro-3-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 54937320
3-bromo-4-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 95910780
2-(4-bromo-2-fluorophenyl)-5-propan-2-yl-1,3-benzoxazole
CID 95910359
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 839364
5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole
CID 169336838
2,5-bis(5-bromo-1,3-benzoxazol-2-yl)benzene-1,4-diol
CID 142681394
2-(3,5-dibromo-4-methylphenyl)-5-methyl-1,3-benzoxazole
CID 50880177
2-[5-bromo-2-(3-phenylprop-2-enoxy)phenyl]-5-methyl-1,3-benzoxazole
CID 68525175
2-(2,3-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089234
tetrakis(2-(5-methyl-1,3-benzoxazol-2-yl)phenol);zirconium
CID 173044170

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-5-methyl-1,3-benzoxazole (CID 69068751) is 2-(5-bromo-2-fluorophenyl)-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-5-methyl-1,3-benzoxazole is Cc1ccc2oc(-c3cc(Br)ccc3F)nc2c1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-5-methyl-1,3-benzoxazole?
The InChIKey is YDAUPNVKXUYPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNO/c1-8-2-5-13-12(6-8)17-14(18-13)10-7-9(15)3-4-11(10)16/h2-7H,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-5-methyl-1,3-benzoxazole?
2-(5-bromo-2-fluorophenyl)-5-methyl-1,3-benzoxazole has a molecular weight of 306.13 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 69068751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).