3-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

C10H17N3O — CID 177065963

IUPAC3-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCC(C)CN1CCC[C@H]1c1ncon1
InChIInChI=1S/C10H17N3O/c1-8(2)6-13-5-3-4-9(13)10-11-7-14-12-10/h7-9H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyQDVLSPXCOJZQBZ-VIFPVBQESA-N
MW195.27 g/mol
LogP1.86
Rot. Bonds3

About 3-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

3-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 177065963) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID177065963
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCC(C)CN1CCC[C@H]1c1ncon1
InChIInChI=1S/C10H17N3O/c1-8(2)6-13-5-3-4-9(13)10-11-7-14-12-10/h7-9H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyQDVLSPXCOJZQBZ-VIFPVBQESA-N
XLogP1.86
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 177065963) is 3-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole is CC(C)CN1CCC[C@H]1c1ncon1.
What is the InChIKey of 3-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is QDVLSPXCOJZQBZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)6-13-5-3-4-9(13)10-11-7-14-12-10/h7-9H,3-6H2,1-2H3/t9-/m0/s1.
What are the key properties of 3-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
3-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 195.27 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 177065963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).