2-propyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole

C9H15N3O — CID 51137551

IUPAC2-propyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESCCCc1nnc([C@H]2CCNC2)o1
InChIInChI=1S/C9H15N3O/c1-2-3-8-11-12-9(13-8)7-4-5-10-6-7/h7,10H,2-6H2,1H3/t7-/m0/s1
InChIKeyXLTGBZTYJLZCSZ-ZETCQYMHSA-N
MW181.24 g/mol
LogP1.10
Rot. Bonds3

About 2-propyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole

2-propyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole (PubChem CID 51137551) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-propyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-propyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole
PubChem CID51137551
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-propyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESCCCc1nnc([C@H]2CCNC2)o1
InChIInChI=1S/C9H15N3O/c1-2-3-8-11-12-9(13-8)7-4-5-10-6-7/h7,10H,2-6H2,1H3/t7-/m0/s1
InChIKeyXLTGBZTYJLZCSZ-ZETCQYMHSA-N
XLogP1.10
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-propyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole (CID 51137551) is 2-propyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-propyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-propyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole is CCCc1nnc([C@H]2CCNC2)o1.
What is the InChIKey of 2-propyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is XLTGBZTYJLZCSZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-3-8-11-12-9(13-8)7-4-5-10-6-7/h7,10H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of 2-propyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole?
2-propyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 181.24 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 51137551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).