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

C14H18N2O2 — CID 63344995

IUPAC1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCCC(O)Cc1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C14H18N2O2/c1-3-5-12(17)9-13-15-14(16-18-13)11-7-4-6-10(2)8-11/h4,6-8,12,17H,3,5,9H2,1-2H3
InChIKeyRDFDSOOUNSUQCW-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.75
Rot. Bonds5

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

1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol (PubChem CID 63344995) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol.

Molecular Properties

Compound Name1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
PubChem CID63344995
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCCC(O)Cc1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C14H18N2O2/c1-3-5-12(17)9-13-15-14(16-18-13)11-7-4-6-10(2)8-11/h4,6-8,12,17H,3,5,9H2,1-2H3
InChIKeyRDFDSOOUNSUQCW-UHFFFAOYSA-N
XLogP2.75
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 107504625
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63345084
2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072848
N-methyl-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347445
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63347023
1-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 103084073
1-cyclopropyl-N-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63347026
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 63346038
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 82740956
1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63346174
5-[2-(3-methylphenyl)propyl]-3-phenyl-1,2,4-oxadiazole
CID 102236251
3-(3-methylphenyl)-5-[(3-methyl-1,2,4-triazol-4-yl)methyl]-1,2,4-oxadiazole
CID 110167726

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The IUPAC name of 1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol (CID 63344995) is 1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol.
What is the SMILES notation for 1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The canonical SMILES for 1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol is CCCC(O)Cc1nc(-c2cccc(C)c2)no1.
What is the InChIKey of 1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The InChIKey is RDFDSOOUNSUQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-5-12(17)9-13-15-14(16-18-13)11-7-4-6-10(2)8-11/h4,6-8,12,17H,3,5,9H2,1-2H3.
What are the key properties of 1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol has a molecular weight of 246.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol is sourced from PubChem (CID 63344995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).