3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide

C15H21N5O3 — CID 136563848

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1noc(C2CCN(C(=O)Nc3c(C)noc3C(C)C)C2)n1
InChIInChI=1S/C15H21N5O3/c1-8(2)13-12(9(3)18-22-13)17-15(21)20-6-5-11(7-20)14-16-10(4)19-23-14/h8,11H,5-7H2,1-4H3,(H,17,21)
InChIKeyGEONEJUNMVNGQW-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.82
Rot. Bonds3

About 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 136563848) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID136563848
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1noc(C2CCN(C(=O)Nc3c(C)noc3C(C)C)C2)n1
InChIInChI=1S/C15H21N5O3/c1-8(2)13-12(9(3)18-22-13)17-15(21)20-6-5-11(7-20)14-16-10(4)19-23-14/h8,11H,5-7H2,1-4H3,(H,17,21)
InChIKeyGEONEJUNMVNGQW-UHFFFAOYSA-N
XLogP2.82
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 118780101
(3,4-dimethylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129348913
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 47388339
2-(2-methylbenzimidazol-1-yl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 128988223
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methylpyrazin-2-yl)methanone
CID 136553357
(5-methyl-1H-imidazol-2-yl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 125172460
(2-chloro-4,5-dimethylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129491670
[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone
CID 129346829
(3S)-N-[(1R)-1-(3-fluoro-4-pyridinyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 124744324
(2,3-dimethylphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 128988584
(3S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 97003531

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide (CID 136563848) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide is Cc1noc(C2CCN(C(=O)Nc3c(C)noc3C(C)C)C2)n1.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is GEONEJUNMVNGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-8(2)13-12(9(3)18-22-13)17-15(21)20-6-5-11(7-20)14-16-10(4)19-23-14/h8,11H,5-7H2,1-4H3,(H,17,21).
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 136563848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).