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

C14H18N2O4 — CID 104704277

IUPAC1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
SMILESCCCC(O)c1noc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C14H18N2O4/c1-4-5-10(17)13-15-14(20-16-13)9-6-7-11(18-2)12(8-9)19-3/h6-8,10,17H,4-5H2,1-3H3
InChIKeyRXGDOGQKKBRIDC-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.59
Rot. Bonds6

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

1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol (PubChem CID 104704277) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol.

Molecular Properties

Compound Name1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
PubChem CID104704277
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
SMILESCCCC(O)c1noc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C14H18N2O4/c1-4-5-10(17)13-15-14(20-16-13)9-6-7-11(18-2)12(8-9)19-3/h6-8,10,17H,4-5H2,1-3H3
InChIKeyRXGDOGQKKBRIDC-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-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096494
1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 113443207
1-(5-quinoxalin-6-yl-1,2,4-oxadiazol-3-yl)butan-1-ol
CID 103096497
5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole
CID 768428
1-[5-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61323783
ethyl 5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379413
1-[5-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62921233
3-(4-butoxyphenyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 2054878
1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096517
3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326088
3-(1-chloropropyl)-5-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazole
CID 103095464
1-[5-(5-bromo-2-iodophenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 104704260

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The IUPAC name of 1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol (CID 104704277) is 1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol.
What is the SMILES notation for 1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The canonical SMILES for 1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol is CCCC(O)c1noc(-c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The InChIKey is RXGDOGQKKBRIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-4-5-10(17)13-15-14(20-16-13)9-6-7-11(18-2)12(8-9)19-3/h6-8,10,17H,4-5H2,1-3H3.
What are the key properties of 1-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
1-[5-(3,4-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-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol is sourced from PubChem (CID 104704277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).