1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ol

C13H23N3O2 — CID 115078145

IUPAC1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ol
SMILESCC(O)Cc1noc(CC2CCCN2C(C)C)n1
InChIInChI=1S/C13H23N3O2/c1-9(2)16-6-4-5-11(16)8-13-14-12(15-18-13)7-10(3)17/h9-11,17H,4-8H2,1-3H3
InChIKeyPMSFQPQCLXZJKB-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.41
Rot. Bonds5

About 1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ol

1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ol (PubChem CID 115078145) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ol
PubChem CID115078145
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ol
SMILESCC(O)Cc1noc(CC2CCCN2C(C)C)n1
InChIInChI=1S/C13H23N3O2/c1-9(2)16-6-4-5-11(16)8-13-14-12(15-18-13)7-10(3)17/h9-11,17H,4-8H2,1-3H3
InChIKeyPMSFQPQCLXZJKB-UHFFFAOYSA-N
XLogP1.41
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-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

1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078118
N-methyl-1-[5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 115078397
1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115078416
3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081652
1-[3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081147
1-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 115080232
5-[(1-propan-2-ylpiperidin-2-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115078370
[5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanol
CID 115078115
5-piperidin-2-yl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole
CID 115080806
1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115083115
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-ol
CID 115079148
[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2-oxazol-4-yl]methanol
CID 115093556

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ol?
The IUPAC name of 1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ol (CID 115078145) is 1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ol.
What is the SMILES notation for 1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ol?
The canonical SMILES for 1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ol is CC(O)Cc1noc(CC2CCCN2C(C)C)n1.
What is the InChIKey of 1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ol?
The InChIKey is PMSFQPQCLXZJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)16-6-4-5-11(16)8-13-14-12(15-18-13)7-10(3)17/h9-11,17H,4-8H2,1-3H3.
What are the key properties of 1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ol?
1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ol has a molecular weight of 253.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ol is sourced from PubChem (CID 115078145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).