2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazole

C13H19N5O — CID 75615578

IUPAC2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(C2CCN(Cc3ncc[nH]3)C2)o1
InChIInChI=1S/C13H19N5O/c1-2-3-12-16-17-13(19-12)10-4-7-18(8-10)9-11-14-5-6-15-11/h5-6,10H,2-4,7-9H2,1H3,(H,14,15)
InChIKeyRCZGLSKHVXNRSR-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.73
Rot. Bonds5

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

2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazole (PubChem CID 75615578) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazole
PubChem CID75615578
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(C2CCN(Cc3ncc[nH]3)C2)o1
InChIInChI=1S/C13H19N5O/c1-2-3-12-16-17-13(19-12)10-4-7-18(8-10)9-11-14-5-6-15-11/h5-6,10H,2-4,7-9H2,1H3,(H,14,15)
InChIKeyRCZGLSKHVXNRSR-UHFFFAOYSA-N
XLogP1.73
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazole (CID 75615578) is 2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazole is CCCc1nnc(C2CCN(Cc3ncc[nH]3)C2)o1.
What is the InChIKey of 2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazole?
The InChIKey is RCZGLSKHVXNRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-2-3-12-16-17-13(19-12)10-4-7-18(8-10)9-11-14-5-6-15-11/h5-6,10H,2-4,7-9H2,1H3,(H,14,15).
What are the key properties of 2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazole?
2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazole has a molecular weight of 261.33 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazole is sourced from PubChem (CID 75615578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).