[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanone

C13H17N5O2 — CID 146144552

IUPAC[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanone
SMILESCc1nc(C(=O)N2CCCC2c2nc(C)c(C)[nH]2)no1
InChIInChI=1S/C13H17N5O2/c1-7-8(2)15-11(14-7)10-5-4-6-18(10)13(19)12-16-9(3)20-17-12/h10H,4-6H2,1-3H3,(H,14,15)
InChIKeyGKPBWLYQDAUEPP-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.70
Rot. Bonds2

About [2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanone

[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanone (PubChem CID 146144552) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is [2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanone
PubChem CID146144552
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanone
SMILESCc1nc(C(=O)N2CCCC2c2nc(C)c(C)[nH]2)no1
InChIInChI=1S/C13H17N5O2/c1-7-8(2)15-11(14-7)10-5-4-6-18(10)13(19)12-16-9(3)20-17-12/h10H,4-6H2,1-3H3,(H,14,15)
InChIKeyGKPBWLYQDAUEPP-UHFFFAOYSA-N
XLogP1.70
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(thian-3-yl)methanone
CID 136559553
2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 135963686
4-ethyl-2-[(2R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 135963671
cyclobutyl-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95841655
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 95722539
(5-bromopyrimidin-2-yl)-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 155954695
1-[4-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]phenyl]ethanone
CID 97345395
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 52532452
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124945276
(1-tert-butyl-3-methylpyrazol-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 136530038
(3-ethyl-1,2-oxazol-5-yl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124978611
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 53017150

Frequently Asked Questions

What is the IUPAC name of [2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanone?
The IUPAC name of [2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanone (CID 146144552) is [2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanone.
What is the SMILES notation for [2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanone?
The canonical SMILES for [2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanone is Cc1nc(C(=O)N2CCCC2c2nc(C)c(C)[nH]2)no1.
What is the InChIKey of [2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanone?
The InChIKey is GKPBWLYQDAUEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-7-8(2)15-11(14-7)10-5-4-6-18(10)13(19)12-16-9(3)20-17-12/h10H,4-6H2,1-3H3,(H,14,15).
What are the key properties of [2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanone?
[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanone has a molecular weight of 275.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanone is sourced from PubChem (CID 146144552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).