5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole

C16H20N4O2 — CID 99611541

IUPAC5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc([C@H]3CCCN3C3CCOCC3)n2)ccn1
InChIInChI=1S/C16H20N4O2/c1-2-14(20(9-1)13-5-10-21-11-6-13)16-18-15(19-22-16)12-3-7-17-8-4-12/h3-4,7-8,13-14H,1-2,5-6,9-11H2/t14-/m1/s1
InChIKeyDBMVOIJMPJIXNI-CQSZACIVSA-N
MW300.36 g/mol
LogP2.45
Rot. Bonds3

About 5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole

5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 99611541) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID99611541
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc([C@H]3CCCN3C3CCOCC3)n2)ccn1
InChIInChI=1S/C16H20N4O2/c1-2-14(20(9-1)13-5-10-21-11-6-13)16-18-15(19-22-16)12-3-7-17-8-4-12/h3-4,7-8,13-14H,1-2,5-6,9-11H2/t14-/m1/s1
InChIKeyDBMVOIJMPJIXNI-CQSZACIVSA-N
XLogP2.45
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole 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

5-[(2R)-1-benzylpyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95147378
5-[1-(cyclopropylmethyl)piperidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191879
5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95953302
5-(1-methylpyrrolidin-2-yl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]-1,2,4-oxadiazole
CID 71060918
5-(1-cyclopropylpyrrolidin-2-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 166210121
5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191859
[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 91888691
N-(2-methoxyethyl)-3-[5-[1-(oxan-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 75131084
5-[(2R)-1-cyclobutylpyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-4-pyridinyl]-1,2,4-oxadiazole
CID 162799188
5-(1-cyclohexylpyrrolidin-2-yl)-3-(6-imidazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 75131350
(3S)-4-cyclopentyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 100659561
1-(1-methylpiperidin-4-yl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506841

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 99611541) is 5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is c1cc(-c2noc([C@H]3CCCN3C3CCOCC3)n2)ccn1.
What is the InChIKey of 5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is DBMVOIJMPJIXNI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-14(20(9-1)13-5-10-21-11-6-13)16-18-15(19-22-16)12-3-7-17-8-4-12/h3-4,7-8,13-14H,1-2,5-6,9-11H2/t14-/m1/s1.
What are the key properties of 5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 300.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 99611541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).