5-butyl-3-(2,3-dimethoxyphenyl)-1,2-oxazole

C15H19NO3 — CID 143675910

IUPAC5-butyl-3-(2,3-dimethoxyphenyl)-1,2-oxazole
SMILESCCCCc1cc(-c2cccc(OC)c2OC)no1
InChIInChI=1S/C15H19NO3/c1-4-5-7-11-10-13(16-19-11)12-8-6-9-14(17-2)15(12)18-3/h6,8-10H,4-5,7H2,1-3H3
InChIKeyABRYADDCFNNURT-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.70
Rot. Bonds6

About 5-butyl-3-(2,3-dimethoxyphenyl)-1,2-oxazole

5-butyl-3-(2,3-dimethoxyphenyl)-1,2-oxazole (PubChem CID 143675910) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-butyl-3-(2,3-dimethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-butyl-3-(2,3-dimethoxyphenyl)-1,2-oxazole
PubChem CID143675910
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name5-butyl-3-(2,3-dimethoxyphenyl)-1,2-oxazole
SMILESCCCCc1cc(-c2cccc(OC)c2OC)no1
InChIInChI=1S/C15H19NO3/c1-4-5-7-11-10-13(16-19-11)12-8-6-9-14(17-2)15(12)18-3/h6,8-10H,4-5,7H2,1-3H3
InChIKeyABRYADDCFNNURT-UHFFFAOYSA-N
XLogP3.70
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 145341916
2-butyl-1,3-dimethoxybenzene
CID 524840
1,2-dimethoxy-3-(4-pentylphenyl)benzene
CID 175313159
5-hexyl-3-phenyl-1,2-oxazole
CID 15445646
5-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-3-methyl-1,2-oxazole
CID 122146031
N-[[3-(2,3-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-methylpropan-1-amine
CID 142679823
2-(3-naphthalen-1-yl-1,2-oxazol-5-yl)ethanamine
CID 116642434
N-[[3-(2,3-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-methylethanamine
CID 142679597
1-[3-(2,3,4-trimethoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine
CID 106223852
5-butyl-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66200570
6-(2,3-dimethoxyphenyl)-N-ethylpyridin-2-amine
CID 82795148
3-(1-chlorobutyl)-5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazole
CID 103095783

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(2,3-dimethoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-butyl-3-(2,3-dimethoxyphenyl)-1,2-oxazole (CID 143675910) is 5-butyl-3-(2,3-dimethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-butyl-3-(2,3-dimethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-butyl-3-(2,3-dimethoxyphenyl)-1,2-oxazole is CCCCc1cc(-c2cccc(OC)c2OC)no1.
What is the InChIKey of 5-butyl-3-(2,3-dimethoxyphenyl)-1,2-oxazole?
The InChIKey is ABRYADDCFNNURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-4-5-7-11-10-13(16-19-11)12-8-6-9-14(17-2)15(12)18-3/h6,8-10H,4-5,7H2,1-3H3.
What are the key properties of 5-butyl-3-(2,3-dimethoxyphenyl)-1,2-oxazole?
5-butyl-3-(2,3-dimethoxyphenyl)-1,2-oxazole has a molecular weight of 261.32 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(2,3-dimethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 143675910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).