1-[5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol

C14H18N2O4 — CID 103096494

IUPAC1-[5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
SMILESCCCC(O)c1noc(-c2c(OC)cccc2OC)n1
InChIInChI=1S/C14H18N2O4/c1-4-6-9(17)13-15-14(20-16-13)12-10(18-2)7-5-8-11(12)19-3/h5,7-9,17H,4,6H2,1-3H3
InChIKeyZSVHAYDMXNILII-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.59
Rot. Bonds6

About 1-[5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol

1-[5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol (PubChem CID 103096494) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol.

Molecular Properties

Compound Name1-[5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
PubChem CID103096494
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
SMILESCCCC(O)c1noc(-c2c(OC)cccc2OC)n1
InChIInChI=1S/C14H18N2O4/c1-4-6-9(17)13-15-14(20-16-13)12-10(18-2)7-5-8-11(12)19-3/h5,7-9,17H,4,6H2,1-3H3
InChIKeyZSVHAYDMXNILII-UHFFFAOYSA-N
XLogP2.59
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 104704277
1-[5-(2-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096524
1-[5-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 113443214
1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 113443207
1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096543
1-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61325221
3-(1-chlorobutyl)-5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazole
CID 103095783
3-chloro-5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazole
CID 112571983
1-[5-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096579
1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096517
1-[5-(1-methylindazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103119680
1-(5-quinoxalin-6-yl-1,2,4-oxadiazol-3-yl)butan-1-ol
CID 103096497

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The IUPAC name of 1-[5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol (CID 103096494) is 1-[5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol.
What is the SMILES notation for 1-[5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The canonical SMILES for 1-[5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol is CCCC(O)c1noc(-c2c(OC)cccc2OC)n1.
What is the InChIKey of 1-[5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The InChIKey is ZSVHAYDMXNILII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-4-6-9(17)13-15-14(20-16-13)12-10(18-2)7-5-8-11(12)19-3/h5,7-9,17H,4,6H2,1-3H3.
What are the key properties of 1-[5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
1-[5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol has a molecular weight of 278.31 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol is sourced from PubChem (CID 103096494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).