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

C11H17N3O — CID 93357418

IUPAC3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESC1CCC(c2noc([C@H]3CCCN3)n2)C1
InChIInChI=1S/C11H17N3O/c1-2-5-8(4-1)10-13-11(15-14-10)9-6-3-7-12-9/h8-9,12H,1-7H2/t9-/m1/s1
InChIKeyPHVQCJXNMBNXDF-SECBINFHSA-N
MW207.28 g/mol
LogP2.15
Rot. Bonds2

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

3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 93357418) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID93357418
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESC1CCC(c2noc([C@H]3CCCN3)n2)C1
InChIInChI=1S/C11H17N3O/c1-2-5-8(4-1)10-13-11(15-14-10)9-6-3-7-12-9/h8-9,12H,1-7H2/t9-/m1/s1
InChIKeyPHVQCJXNMBNXDF-SECBINFHSA-N
XLogP2.15
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclobutyl-5-piperidin-2-yl-1,2,4-oxadiazole
CID 64982229
3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 69188046
5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 123446995
3-(3-methylcyclohexyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900508
3-(oxolan-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103832673
5-(azepan-2-yl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole
CID 65424042
3-(2-methylcyclopropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900655
3-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide
CID 115335815
3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915001
5-(azocan-2-yl)-3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole
CID 114239832
3-(3,4-dihydro-2H-chromen-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900644
5-(azepan-2-yl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole
CID 65413684

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 93357418) is 3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole is C1CCC(c2noc([C@H]3CCCN3)n2)C1.
What is the InChIKey of 3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is PHVQCJXNMBNXDF-SECBINFHSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-5-8(4-1)10-13-11(15-14-10)9-6-3-7-12-9/h8-9,12H,1-7H2/t9-/m1/s1.
What are the key properties of 3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 207.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 93357418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).