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

C13H14BrNO2 — CID 152764725

IUPAC3-(5-bromo-2-methoxyphenyl)-5-propyl-1,2-oxazole
SMILESCCCc1cc(-c2cc(Br)ccc2OC)no1
InChIInChI=1S/C13H14BrNO2/c1-3-4-10-8-12(15-17-10)11-7-9(14)5-6-13(11)16-2/h5-8H,3-4H2,1-2H3
InChIKeyVVSHCZGNRSBXNF-UHFFFAOYSA-N
MW296.16 g/mol
LogP4.07
Rot. Bonds4

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

3-(5-bromo-2-methoxyphenyl)-5-propyl-1,2-oxazole (PubChem CID 152764725) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxyphenyl)-5-propyl-1,2-oxazole.

Molecular Properties

Compound Name3-(5-bromo-2-methoxyphenyl)-5-propyl-1,2-oxazole
PubChem CID152764725
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC Name3-(5-bromo-2-methoxyphenyl)-5-propyl-1,2-oxazole
SMILESCCCc1cc(-c2cc(Br)ccc2OC)no1
InChIInChI=1S/C13H14BrNO2/c1-3-4-10-8-12(15-17-10)11-7-9(14)5-6-13(11)16-2/h5-8H,3-4H2,1-2H3
InChIKeyVVSHCZGNRSBXNF-UHFFFAOYSA-N
XLogP4.07
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(5-bromo-2-methoxyphenyl)-5-propyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxy-5-propylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 169196786
3-(5-bromo-2-methoxyphenyl)-4-methyl-1,2-oxazol-5-amine
CID 82134756
3-[(2S)-1-[(5-bromo-2-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92732280
5-butyl-3-(2,3-dimethoxyphenyl)-1,2-oxazole
CID 143675910
5-(4-bromo-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
CID 113296257
2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 63479481
[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-3-yl]methanethiol
CID 82160263
5-(5-bromo-2-methoxyphenyl)-3-(1-chlorobutyl)-1,2,4-oxadiazole
CID 112742049
[3-(2,5-dibromophenyl)-1,2-oxazol-5-yl]methanamine
CID 166597486
[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 82124686
[3-[2-methoxy-5-(2-methylprop-2-enyl)phenyl]-1,2-oxazol-5-yl]methanol
CID 169196805
2-[4-methoxy-3-[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]phenyl]ethanol
CID 169196793

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxyphenyl)-5-propyl-1,2-oxazole?
The IUPAC name of 3-(5-bromo-2-methoxyphenyl)-5-propyl-1,2-oxazole (CID 152764725) is 3-(5-bromo-2-methoxyphenyl)-5-propyl-1,2-oxazole.
What is the SMILES notation for 3-(5-bromo-2-methoxyphenyl)-5-propyl-1,2-oxazole?
The canonical SMILES for 3-(5-bromo-2-methoxyphenyl)-5-propyl-1,2-oxazole is CCCc1cc(-c2cc(Br)ccc2OC)no1.
What is the InChIKey of 3-(5-bromo-2-methoxyphenyl)-5-propyl-1,2-oxazole?
The InChIKey is VVSHCZGNRSBXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c1-3-4-10-8-12(15-17-10)11-7-9(14)5-6-13(11)16-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 3-(5-bromo-2-methoxyphenyl)-5-propyl-1,2-oxazole?
3-(5-bromo-2-methoxyphenyl)-5-propyl-1,2-oxazole has a molecular weight of 296.16 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxyphenyl)-5-propyl-1,2-oxazole is sourced from PubChem (CID 152764725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).