[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone

C14H22N4O3 — CID 56918196

IUPAC[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone
SMILESCCCc1nnc(C(=O)N2C[C@H](O)[C@@H](N3CCCC3)C2)o1
InChIInChI=1S/C14H22N4O3/c1-2-5-12-15-16-13(21-12)14(20)18-8-10(11(19)9-18)17-6-3-4-7-17/h10-11,19H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyISGVBMDEVHGXFE-QWRGUYRKSA-N
MW294.36 g/mol
LogP0.30
Rot. Bonds4

About [(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone

[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 56918196) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is [(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID56918196
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone
SMILESCCCc1nnc(C(=O)N2C[C@H](O)[C@@H](N3CCCC3)C2)o1
InChIInChI=1S/C14H22N4O3/c1-2-5-12-15-16-13(21-12)14(20)18-8-10(11(19)9-18)17-6-3-4-7-17/h10-11,19H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyISGVBMDEVHGXFE-QWRGUYRKSA-N
XLogP0.30
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of [(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone (CID 56918196) is [(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for [(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for [(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone is CCCc1nnc(C(=O)N2C[C@H](O)[C@@H](N3CCCC3)C2)o1.
What is the InChIKey of [(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is ISGVBMDEVHGXFE-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-2-5-12-15-16-13(21-12)14(20)18-8-10(11(19)9-18)17-6-3-4-7-17/h10-11,19H,2-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of [(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone?
[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 294.36 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 56918196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).