4-(3-bromo-4-fluorophenyl)-5-methyl-1,3-oxazole

C10H7BrFNO — CID 115047663

IUPAC4-(3-bromo-4-fluorophenyl)-5-methyl-1,3-oxazole
SMILESCc1ocnc1-c1ccc(F)c(Br)c1
InChIInChI=1S/C10H7BrFNO/c1-6-10(13-5-14-6)7-2-3-9(12)8(11)4-7/h2-5H,1H3
InChIKeyYRVVELRXNZKPPO-UHFFFAOYSA-N
MW256.07 g/mol
LogP3.55
Rot. Bonds1

About 4-(3-bromo-4-fluorophenyl)-5-methyl-1,3-oxazole

4-(3-bromo-4-fluorophenyl)-5-methyl-1,3-oxazole (PubChem CID 115047663) has the molecular formula C10H7BrFNO and a molecular weight of 256.07 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenyl)-5-methyl-1,3-oxazole
PubChem CID115047663
Molecular FormulaC10H7BrFNO
Molecular Weight256.07 g/mol
Exact Mass254.97
IUPAC Name4-(3-bromo-4-fluorophenyl)-5-methyl-1,3-oxazole
SMILESCc1ocnc1-c1ccc(F)c(Br)c1
InChIInChI=1S/C10H7BrFNO/c1-6-10(13-5-14-6)7-2-3-9(12)8(11)4-7/h2-5H,1H3
InChIKeyYRVVELRXNZKPPO-UHFFFAOYSA-N
XLogP3.55
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.07
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromo-4-fluorophenyl)-2-ethyl-5-methyl-1,3-oxazole
CID 115052084
2-bromo-1-fluoro-4-(4-methylphenyl)benzene
CID 115049308
1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 107952862
[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]methanamine
CID 107952860
2-[4-(5-methyl-1,3-oxazol-4-yl)phenyl]ethanamine
CID 105454401
4-(3-bromo-4-fluorophenyl)-6-methylpyrimidine
CID 82487191
2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole
CID 82488398
2-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]ethanamine
CID 82127608
2-(3-bromo-4-fluorophenyl)-1,3,5-triazine
CID 82481921
3-(3-bromo-4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one
CID 142633965
3-(3-bromo-4-fluorophenyl)-4-ethyl-1,2,4-triazole
CID 107954691
2-bromo-1-fluoro-4-phenylbenzene
CID 2773367

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenyl)-5-methyl-1,3-oxazole?
The IUPAC name of 4-(3-bromo-4-fluorophenyl)-5-methyl-1,3-oxazole (CID 115047663) is 4-(3-bromo-4-fluorophenyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-(3-bromo-4-fluorophenyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 4-(3-bromo-4-fluorophenyl)-5-methyl-1,3-oxazole is Cc1ocnc1-c1ccc(F)c(Br)c1.
What is the InChIKey of 4-(3-bromo-4-fluorophenyl)-5-methyl-1,3-oxazole?
The InChIKey is YRVVELRXNZKPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNO/c1-6-10(13-5-14-6)7-2-3-9(12)8(11)4-7/h2-5H,1H3.
What are the key properties of 4-(3-bromo-4-fluorophenyl)-5-methyl-1,3-oxazole?
4-(3-bromo-4-fluorophenyl)-5-methyl-1,3-oxazole has a molecular weight of 256.07 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 115047663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).