5-bromo-3-(3-methoxyphenyl)-1,2-oxazole

C10H8BrNO2 — CID 84708024

IUPAC5-bromo-3-(3-methoxyphenyl)-1,2-oxazole
SMILESCOc1cccc(-c2cc(Br)on2)c1
InChIInChI=1S/C10H8BrNO2/c1-13-8-4-2-3-7(5-8)9-6-10(11)14-12-9/h2-6H,1H3
InChIKeyLMJJEUGXZDAPHC-UHFFFAOYSA-N
MW254.08 g/mol
LogP3.11
Rot. Bonds2

About 5-bromo-3-(3-methoxyphenyl)-1,2-oxazole

5-bromo-3-(3-methoxyphenyl)-1,2-oxazole (PubChem CID 84708024) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is 5-bromo-3-(3-methoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-bromo-3-(3-methoxyphenyl)-1,2-oxazole
PubChem CID84708024
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Name5-bromo-3-(3-methoxyphenyl)-1,2-oxazole
SMILESCOc1cccc(-c2cc(Br)on2)c1
InChIInChI=1S/C10H8BrNO2/c1-13-8-4-2-3-7(5-8)9-6-10(11)14-12-9/h2-6H,1H3
InChIKeyLMJJEUGXZDAPHC-UHFFFAOYSA-N
XLogP3.11
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)-N-methyl-1,2-oxazol-5-amine
CID 134400305
3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole
CID 58157241
3-(3-methoxyphenyl)-1,2-oxazole-5-carbonitrile
CID 845058
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carbonitrile
CID 116859108
4-bromo-3-chloro-6-(3-methoxyphenyl)pyridazine
CID 117107007
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 102158832
6-bromo-2-(3-methoxyphenyl)quinoline
CID 53443478
3-(5-bromofuran-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61261819

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-methoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-bromo-3-(3-methoxyphenyl)-1,2-oxazole (CID 84708024) is 5-bromo-3-(3-methoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-bromo-3-(3-methoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-bromo-3-(3-methoxyphenyl)-1,2-oxazole is COc1cccc(-c2cc(Br)on2)c1.
What is the InChIKey of 5-bromo-3-(3-methoxyphenyl)-1,2-oxazole?
The InChIKey is LMJJEUGXZDAPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c1-13-8-4-2-3-7(5-8)9-6-10(11)14-12-9/h2-6H,1H3.
What are the key properties of 5-bromo-3-(3-methoxyphenyl)-1,2-oxazole?
5-bromo-3-(3-methoxyphenyl)-1,2-oxazole has a molecular weight of 254.08 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-methoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 84708024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).