(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol

C11H19N3O2 — CID 112733993

IUPAC(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
SMILESCCCCc1noc(CN2CC[C@@H](O)C2)n1
InChIInChI=1S/C11H19N3O2/c1-2-3-4-10-12-11(16-13-10)8-14-6-5-9(15)7-14/h9,15H,2-8H2,1H3/t9-/m1/s1
InChIKeyVYQOFKXHSJNCKH-SECBINFHSA-N
MW225.29 g/mol
LogP0.98
Rot. Bonds5

About (3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol

(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol (PubChem CID 112733993) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is (3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
PubChem CID112733993
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
SMILESCCCCc1noc(CN2CC[C@@H](O)C2)n1
InChIInChI=1S/C11H19N3O2/c1-2-3-4-10-12-11(16-13-10)8-14-6-5-9(15)7-14/h9,15H,2-8H2,1H3/t9-/m1/s1
InChIKeyVYQOFKXHSJNCKH-SECBINFHSA-N
XLogP0.98
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60722318
1-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267588
(3R)-1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 63365319
2-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47020572
(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 107225702
(3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905236
3-butyl-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 60978301
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784953
(3S)-1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 111434623
tert-butyl N-[(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]carbamate
CID 94646824
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907718
N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 119923360

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol (CID 112733993) is (3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol is CCCCc1noc(CN2CC[C@@H](O)C2)n1.
What is the InChIKey of (3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol?
The InChIKey is VYQOFKXHSJNCKH-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-3-4-10-12-11(16-13-10)8-14-6-5-9(15)7-14/h9,15H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol?
(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol has a molecular weight of 225.29 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 112733993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).