4-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide

C13H18N6O2 — CID 136531175

IUPAC4-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(c2nc(-c3ncc[nH]3)no2)CC1
InChIInChI=1S/C13H18N6O2/c1-18(2)13(20)19-7-3-9(4-8-19)12-16-11(17-21-12)10-14-5-6-15-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyDFOUTSYZDPUTAY-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.32
Rot. Bonds2

About 4-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide

4-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 136531175) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID136531175
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name4-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(c2nc(-c3ncc[nH]3)no2)CC1
InChIInChI=1S/C13H18N6O2/c1-18(2)13(20)19-7-3-9(4-8-19)12-16-11(17-21-12)10-14-5-6-15-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyDFOUTSYZDPUTAY-UHFFFAOYSA-N
XLogP1.32
TPSA91.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide with MolForge

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Related Compounds

ethyl (3R)-3-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 136901068
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 42760461
3-(1H-imidazol-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 136746255
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457
4-[3-(2,3-dihydroindol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 71853426
(2R)-2-amino-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 119870841
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 4605604
3-(1H-imidazol-2-yl)-5-methyl-1,2,4-oxadiazole
CID 137219999
3-amino-2-methyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503538
3-[[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 22247970
3-amino-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119870857
4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
CID 67253358

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide (CID 136531175) is 4-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(c2nc(-c3ncc[nH]3)no2)CC1.
What is the InChIKey of 4-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is DFOUTSYZDPUTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-18(2)13(20)19-7-3-9(4-8-19)12-16-11(17-21-12)10-14-5-6-15-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15).
What are the key properties of 4-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide?
4-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 136531175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).