1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol

C14H18N2O3 — CID 63346174

IUPAC1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCCC(O)Cc1nc(-c2ccccc2OC)no1
InChIInChI=1S/C14H18N2O3/c1-3-6-10(17)9-13-15-14(16-19-13)11-7-4-5-8-12(11)18-2/h4-5,7-8,10,17H,3,6,9H2,1-2H3
InChIKeyNXRHAQJTIQSYLM-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.45
Rot. Bonds6

About 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol

1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol (PubChem CID 63346174) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol.

Molecular Properties

Compound Name1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
PubChem CID63346174
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCCC(O)Cc1nc(-c2ccccc2OC)no1
InChIInChI=1S/C14H18N2O3/c1-3-6-10(17)9-13-15-14(16-19-13)11-7-4-5-8-12(11)18-2/h4-5,7-8,10,17H,3,6,9H2,1-2H3
InChIKeyNXRHAQJTIQSYLM-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 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-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

2-methoxy-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103157574
1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 79718714
1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 115534463
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 55201236
1-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 103084073
1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63344995
N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide
CID 110324093
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 82740956
1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 116780933
N,N-diethyl-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2019912
1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 107504625
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63346270

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The IUPAC name of 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol (CID 63346174) is 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol.
What is the SMILES notation for 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The canonical SMILES for 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol is CCCC(O)Cc1nc(-c2ccccc2OC)no1.
What is the InChIKey of 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The InChIKey is NXRHAQJTIQSYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-6-10(17)9-13-15-14(16-19-13)11-7-4-5-8-12(11)18-2/h4-5,7-8,10,17H,3,6,9H2,1-2H3.
What are the key properties of 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-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 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol is sourced from PubChem (CID 63346174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).