3-[(4-bromo-2-fluorophenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole

C14H9BrFNO3 — CID 9354046

IUPAC3-[(4-bromo-2-fluorophenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole
SMILESFc1cc(Br)ccc1OCc1cc(-c2ccco2)on1
InChIInChI=1S/C14H9BrFNO3/c15-9-3-4-12(11(16)6-9)19-8-10-7-14(20-17-10)13-2-1-5-18-13/h1-7H,8H2
InChIKeyPNKQCHHDWAJBAB-UHFFFAOYSA-N
MW338.13 g/mol
LogP4.42
Rot. Bonds4

About 3-[(4-bromo-2-fluorophenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole

3-[(4-bromo-2-fluorophenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole (PubChem CID 9354046) has the molecular formula C14H9BrFNO3 and a molecular weight of 338.13 g/mol. Its IUPAC name is 3-[(4-bromo-2-fluorophenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-[(4-bromo-2-fluorophenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole
PubChem CID9354046
Molecular FormulaC14H9BrFNO3
Molecular Weight338.13 g/mol
Exact Mass336.97
IUPAC Name3-[(4-bromo-2-fluorophenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole
SMILESFc1cc(Br)ccc1OCc1cc(-c2ccco2)on1
InChIInChI=1S/C14H9BrFNO3/c15-9-3-4-12(11(16)6-9)19-8-10-7-14(20-17-10)13-2-1-5-18-13/h1-7H,8H2
InChIKeyPNKQCHHDWAJBAB-UHFFFAOYSA-N
XLogP4.42
TPSA48.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.13
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole
CID 112797314
5-(furan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2-oxazole
CID 112797313
[5-[(4-bromo-2-fluorophenoxy)methyl]thiophen-2-yl]methanamine
CID 107558707
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine
CID 7060533
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]-4-methoxybenzamide
CID 18089227
5-chloro-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]-N-phenylbenzamide
CID 24578806
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(3-bromophenoxy)propanoate
CID 8887141
4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]benzoic acid
CID 43214757
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 53398902
4-[(4-bromo-2-fluorophenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole
CID 7695771
5-(furan-2-yl)-3-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,2-oxazole
CID 26676390
5-bromo-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyridin-2-one
CID 26685597

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2-fluorophenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole?
The IUPAC name of 3-[(4-bromo-2-fluorophenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole (CID 9354046) is 3-[(4-bromo-2-fluorophenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-[(4-bromo-2-fluorophenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole?
The canonical SMILES for 3-[(4-bromo-2-fluorophenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole is Fc1cc(Br)ccc1OCc1cc(-c2ccco2)on1.
What is the InChIKey of 3-[(4-bromo-2-fluorophenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole?
The InChIKey is PNKQCHHDWAJBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNO3/c15-9-3-4-12(11(16)6-9)19-8-10-7-14(20-17-10)13-2-1-5-18-13/h1-7H,8H2.
What are the key properties of 3-[(4-bromo-2-fluorophenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole?
3-[(4-bromo-2-fluorophenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole has a molecular weight of 338.13 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2-fluorophenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole is sourced from PubChem (CID 9354046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).