N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-imidazol-1-ylacetamide

C16H17N5O2 — CID 91784327

IUPACN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-imidazol-1-ylacetamide
SMILESO=C(Cn1ccnc1)NCCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C16H17N5O2/c22-15(11-21-9-8-17-12-21)18-7-6-16-19-14(20-23-16)10-13-4-2-1-3-5-13/h1-5,8-9,12H,6-7,10-11H2,(H,18,22)
InChIKeyRQJIUGMFCLBASP-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.22
Rot. Bonds7

About N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-imidazol-1-ylacetamide

N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-imidazol-1-ylacetamide (PubChem CID 91784327) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-imidazol-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-imidazol-1-ylacetamide
PubChem CID91784327
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC NameN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-imidazol-1-ylacetamide
SMILESO=C(Cn1ccnc1)NCCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C16H17N5O2/c22-15(11-21-9-8-17-12-21)18-7-6-16-19-14(20-23-16)10-13-4-2-1-3-5-13/h1-5,8-9,12H,6-7,10-11H2,(H,18,22)
InChIKeyRQJIUGMFCLBASP-UHFFFAOYSA-N
XLogP1.22
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylsulfanylpropanamide
CID 118781230
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5-difluorobenzamide
CID 91763292
(2S)-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-dioxane-2-carboxamide
CID 125172158
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 146126326
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide
CID 43663077
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 43152030
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide;dihydrochloride
CID 154901382
(3S)-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97109601
(3S)-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 97119837
(3S)-3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide
CID 97155010
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 70753464
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 90652660

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-imidazol-1-ylacetamide?
The IUPAC name of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-imidazol-1-ylacetamide (CID 91784327) is N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-imidazol-1-ylacetamide.
What is the SMILES notation for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-imidazol-1-ylacetamide?
The canonical SMILES for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-imidazol-1-ylacetamide is O=C(Cn1ccnc1)NCCc1nc(Cc2ccccc2)no1.
What is the InChIKey of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-imidazol-1-ylacetamide?
The InChIKey is RQJIUGMFCLBASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c22-15(11-21-9-8-17-12-21)18-7-6-16-19-14(20-23-16)10-13-4-2-1-3-5-13/h1-5,8-9,12H,6-7,10-11H2,(H,18,22).
What are the key properties of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-imidazol-1-ylacetamide?
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-imidazol-1-ylacetamide has a molecular weight of 311.34 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-imidazol-1-ylacetamide is sourced from PubChem (CID 91784327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).