3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol

C11H19N3O2 — CID 116808910

IUPAC3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
SMILESCCC(c1nc(N2CCCC2)no1)C(C)O
InChIInChI=1S/C11H19N3O2/c1-3-9(8(2)15)10-12-11(13-16-10)14-6-4-5-7-14/h8-9,15H,3-7H2,1-2H3
InChIKeyYPHKCRHXEGCBRD-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.54
Rot. Bonds4

About 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol

3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol (PubChem CID 116808910) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol.

Molecular Properties

Compound Name3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
PubChem CID116808910
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
SMILESCCC(c1nc(N2CCCC2)no1)C(C)O
InChIInChI=1S/C11H19N3O2/c1-3-9(8(2)15)10-12-11(13-16-10)14-6-4-5-7-14/h8-9,15H,3-7H2,1-2H3
InChIKeyYPHKCRHXEGCBRD-UHFFFAOYSA-N
XLogP1.54
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 116809180
1-amino-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116806822
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 116808114
(1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104915584
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 116808746
N-methyl-3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116809271
(1S)-N-methyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 130563986
1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 116808953
(1R)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 107565624
N-ethyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 116807179
N-ethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 116809225
2-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 116807285

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol?
The IUPAC name of 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol (CID 116808910) is 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol.
What is the SMILES notation for 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol?
The canonical SMILES for 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol is CCC(c1nc(N2CCCC2)no1)C(C)O.
What is the InChIKey of 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol?
The InChIKey is YPHKCRHXEGCBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-9(8(2)15)10-12-11(13-16-10)14-6-4-5-7-14/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol?
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol has a molecular weight of 225.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol is sourced from PubChem (CID 116808910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).