1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol

C12H20N2O3 — CID 116732892

IUPAC1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCCC(O)Cc1nc(C(OC)C2CC2)no1
InChIInChI=1S/C12H20N2O3/c1-3-4-9(15)7-10-13-12(14-17-10)11(16-2)8-5-6-8/h8-9,11,15H,3-7H2,1-2H3
InChIKeyYTUZRLSWOAKXJQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.87
Rot. Bonds7

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

1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol (PubChem CID 116732892) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol.

Molecular Properties

Compound Name1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
PubChem CID116732892
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCCC(O)Cc1nc(C(OC)C2CC2)no1
InChIInChI=1S/C12H20N2O3/c1-3-4-9(15)7-10-13-12(14-17-10)11(16-2)8-5-6-8/h8-9,11,15H,3-7H2,1-2H3
InChIKeyYTUZRLSWOAKXJQ-UHFFFAOYSA-N
XLogP1.87
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 114282135
1-cyclopentyl-2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 116733432
1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 116780933
5-(2-chloroethyl)-3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazole
CID 116701127
(1S)-2-amino-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 107837305
2-[[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 116703530
4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 116703444
N-[1-cyclopropyl-2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 116733230
3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106527287
N-[[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 116743473
1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65328569
3-[cyclopropyl(methoxy)methyl]-N-methyl-1,2,4-oxadiazol-5-amine
CID 116730884

Frequently Asked Questions

What is the IUPAC name of 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The IUPAC name of 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol (CID 116732892) is 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol.
What is the SMILES notation for 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The canonical SMILES for 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol is CCCC(O)Cc1nc(C(OC)C2CC2)no1.
What is the InChIKey of 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The InChIKey is YTUZRLSWOAKXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-4-9(15)7-10-13-12(14-17-10)11(16-2)8-5-6-8/h8-9,11,15H,3-7H2,1-2H3.
What are the key properties of 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol?
1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol has a molecular weight of 240.30 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol is sourced from PubChem (CID 116732892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).