[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone

C18H23N5O2 — CID 131931943

IUPAC[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCC(Nc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C18H23N5O2/c24-18(22-10-4-5-11-22)23-12-8-15(9-13-23)19-17-20-16(21-25-17)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,19,20,21)
InChIKeyGDWNGENTMCLIHY-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.83
Rot. Bonds3

About [4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone

[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 131931943) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is [4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID131931943
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCC(Nc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C18H23N5O2/c24-18(22-10-4-5-11-22)23-12-8-15(9-13-23)19-17-20-16(21-25-17)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,19,20,21)
InChIKeyGDWNGENTMCLIHY-UHFFFAOYSA-N
XLogP2.83
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]ethanone
CID 122569461
[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112851698
N-(4-phenyl-1,3-oxazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 132972292
N-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 119027837
oxolan-3-yl-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 138384199
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperidin-1-ylethanone
CID 15987644
N-tert-butyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 42760961
cyclopentyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 42765321
ethyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate
CID 31369329
3-(3-chlorophenyl)-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1,2,4-oxadiazol-5-amine
CID 133296011
(1-methylcyclopropyl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136514881
N-cyclopropyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62595048

Frequently Asked Questions

What is the IUPAC name of [4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone (CID 131931943) is [4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CCC(Nc2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of [4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is GDWNGENTMCLIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-18(22-10-4-5-11-22)23-12-8-15(9-13-23)19-17-20-16(21-25-17)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,19,20,21).
What are the key properties of [4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone?
[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 341.41 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 131931943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).