3-[(5-bromo-2-fluorophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole

C12H11BrFNO3 — CID 114672579

IUPAC3-[(5-bromo-2-fluorophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(COc2cc(Br)ccc2F)no1
InChIInChI=1S/C12H11BrFNO3/c1-16-7-10-5-9(15-18-10)6-17-12-4-8(13)2-3-11(12)14/h2-5H,6-7H2,1H3
InChIKeyUQPIGJTVUQRTQS-UHFFFAOYSA-N
MW316.13 g/mol
LogP3.30
Rot. Bonds5

About 3-[(5-bromo-2-fluorophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole

3-[(5-bromo-2-fluorophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole (PubChem CID 114672579) has the molecular formula C12H11BrFNO3 and a molecular weight of 316.13 g/mol. Its IUPAC name is 3-[(5-bromo-2-fluorophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[(5-bromo-2-fluorophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole
PubChem CID114672579
Molecular FormulaC12H11BrFNO3
Molecular Weight316.13 g/mol
Exact Mass314.99
IUPAC Name3-[(5-bromo-2-fluorophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(COc2cc(Br)ccc2F)no1
InChIInChI=1S/C12H11BrFNO3/c1-16-7-10-5-9(15-18-10)6-17-12-4-8(13)2-3-11(12)14/h2-5H,6-7H2,1H3
InChIKeyUQPIGJTVUQRTQS-UHFFFAOYSA-N
XLogP3.30
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.13
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine
CID 66157009
5-[(5-bromo-2-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
CID 115918504
(1S)-1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol
CID 79027106
1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
CID 66157614
3-[(2-bromophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole
CID 66158008
1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]-N-methylethanamine
CID 66157615
2-[3-bromo-4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
CID 66190553
4-chloro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzonitrile
CID 114322679
[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine
CID 112608092
4-bromo-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]aniline
CID 141045942
3-[(5-bromo-2-fluorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 115918530
[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-6-methyl-2-pyridinyl]methanamine
CID 79150560

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-fluorophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole?
The IUPAC name of 3-[(5-bromo-2-fluorophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole (CID 114672579) is 3-[(5-bromo-2-fluorophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-[(5-bromo-2-fluorophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole?
The canonical SMILES for 3-[(5-bromo-2-fluorophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole is COCc1cc(COc2cc(Br)ccc2F)no1.
What is the InChIKey of 3-[(5-bromo-2-fluorophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole?
The InChIKey is UQPIGJTVUQRTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO3/c1-16-7-10-5-9(15-18-10)6-17-12-4-8(13)2-3-11(12)14/h2-5H,6-7H2,1H3.
What are the key properties of 3-[(5-bromo-2-fluorophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole?
3-[(5-bromo-2-fluorophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole has a molecular weight of 316.13 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-fluorophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole is sourced from PubChem (CID 114672579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).