4-bromo-2-(3-methoxyphenoxy)-1,3-oxazole

C10H8BrNO3 — CID 117188908

IUPAC4-bromo-2-(3-methoxyphenoxy)-1,3-oxazole
SMILESCOc1cccc(Oc2nc(Br)co2)c1
InChIInChI=1S/C10H8BrNO3/c1-13-7-3-2-4-8(5-7)15-10-12-9(11)6-14-10/h2-6H,1H3
InChIKeyUDABCVBKXBQERS-UHFFFAOYSA-N
MW270.08 g/mol
LogP3.24
Rot. Bonds3

About 4-bromo-2-(3-methoxyphenoxy)-1,3-oxazole

4-bromo-2-(3-methoxyphenoxy)-1,3-oxazole (PubChem CID 117188908) has the molecular formula C10H8BrNO3 and a molecular weight of 270.08 g/mol. Its IUPAC name is 4-bromo-2-(3-methoxyphenoxy)-1,3-oxazole.

Molecular Properties

Compound Name4-bromo-2-(3-methoxyphenoxy)-1,3-oxazole
PubChem CID117188908
Molecular FormulaC10H8BrNO3
Molecular Weight270.08 g/mol
Exact Mass268.97
IUPAC Name4-bromo-2-(3-methoxyphenoxy)-1,3-oxazole
SMILESCOc1cccc(Oc2nc(Br)co2)c1
InChIInChI=1S/C10H8BrNO3/c1-13-7-3-2-4-8(5-7)15-10-12-9(11)6-14-10/h2-6H,1H3
InChIKeyUDABCVBKXBQERS-UHFFFAOYSA-N
XLogP3.24
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromo-1,3-oxazol-2-yl)oxy]phenol
CID 117188907
4-bromo-2-(3-methoxyphenoxy)-1-methylimidazole
CID 117189479
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
azane;1,3-dimethoxybenzene
CID 70210283
CID 172849383
CID 172849383
calcium;1,3-dimethoxybenzene;hydride
CID 174808068
carbanide;1,3-dimethoxybenzene;rubidium(1+)
CID 160752391
5-bromo-2-(3-methoxyphenoxy)-1,3-thiazole 1,1-dioxide
CID 117190266
1-bromo-4-chloro-2-fluoro-5-(3-methoxyphenoxy)benzene
CID 90434559

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-methoxyphenoxy)-1,3-oxazole?
The IUPAC name of 4-bromo-2-(3-methoxyphenoxy)-1,3-oxazole (CID 117188908) is 4-bromo-2-(3-methoxyphenoxy)-1,3-oxazole.
What is the SMILES notation for 4-bromo-2-(3-methoxyphenoxy)-1,3-oxazole?
The canonical SMILES for 4-bromo-2-(3-methoxyphenoxy)-1,3-oxazole is COc1cccc(Oc2nc(Br)co2)c1.
What is the InChIKey of 4-bromo-2-(3-methoxyphenoxy)-1,3-oxazole?
The InChIKey is UDABCVBKXBQERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO3/c1-13-7-3-2-4-8(5-7)15-10-12-9(11)6-14-10/h2-6H,1H3.
What are the key properties of 4-bromo-2-(3-methoxyphenoxy)-1,3-oxazole?
4-bromo-2-(3-methoxyphenoxy)-1,3-oxazole has a molecular weight of 270.08 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-methoxyphenoxy)-1,3-oxazole is sourced from PubChem (CID 117188908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).