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

C14H18N2O3 — CID 63346128

IUPAC4-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCCOc1cccc(-c2noc(CCC(C)O)n2)c1
InChIInChI=1S/C14H18N2O3/c1-3-18-12-6-4-5-11(9-12)14-15-13(19-16-14)8-7-10(2)17/h4-6,9-10,17H,3,7-8H2,1-2H3
InChIKeyMSEKIEBCHBRTOR-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.45
Rot. Bonds6

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

4-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol (PubChem CID 63346128) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name4-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
PubChem CID63346128
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCCOc1cccc(-c2noc(CCC(C)O)n2)c1
InChIInChI=1S/C14H18N2O3/c1-3-18-12-6-4-5-11(9-12)14-15-13(19-16-14)8-7-10(2)17/h4-6,9-10,17H,3,7-8H2,1-2H3
InChIKeyMSEKIEBCHBRTOR-UHFFFAOYSA-N
XLogP2.45
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63345084
5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole
CID 60984808
1-amino-1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 43519296
3-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63346032
1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 63348720
3-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539968
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
4-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 81143737
(2R)-4-(3-ethoxyphenyl)butan-2-ol
CID 94920388
4-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349523
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63348158
4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346200

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The IUPAC name of 4-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol (CID 63346128) is 4-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol.
What is the SMILES notation for 4-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The canonical SMILES for 4-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol is CCOc1cccc(-c2noc(CCC(C)O)n2)c1.
What is the InChIKey of 4-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The InChIKey is MSEKIEBCHBRTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-18-12-6-4-5-11(9-12)14-15-13(19-16-14)8-7-10(2)17/h4-6,9-10,17H,3,7-8H2,1-2H3.
What are the key properties of 4-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
4-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol has a molecular weight of 262.31 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol is sourced from PubChem (CID 63346128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).