[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone

C19H20N4O2 — CID 95779663

IUPAC[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone
SMILESCn1ccc2c(C(=O)N3CCC[C@H]3c3noc(C4CC4)n3)cccc21
InChIInChI=1S/C19H20N4O2/c1-22-11-9-13-14(4-2-5-15(13)22)19(24)23-10-3-6-16(23)17-20-18(25-21-17)12-7-8-12/h2,4-5,9,11-12,16H,3,6-8,10H2,1H3/t16-/m0/s1
InChIKeyJMHZCXGIJDYGHH-INIZCTEOSA-N
MW336.39 g/mol
LogP3.42
Rot. Bonds3

About [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone

[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone (PubChem CID 95779663) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone
PubChem CID95779663
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone
SMILESCn1ccc2c(C(=O)N3CCC[C@H]3c3noc(C4CC4)n3)cccc21
InChIInChI=1S/C19H20N4O2/c1-22-11-9-13-14(4-2-5-15(13)22)19(24)23-10-3-6-16(23)17-20-18(25-21-17)12-7-8-12/h2,4-5,9,11-12,16H,3,6-8,10H2,1H3/t16-/m0/s1
InChIKeyJMHZCXGIJDYGHH-INIZCTEOSA-N
XLogP3.42
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone
CID 95779662
(1-methylindol-4-yl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 97199775
3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 90564410
[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 167789568
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 97003434
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone
CID 97003510
[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone
CID 71928919
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone
CID 75490249
[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 95779687
3-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 97011039
3-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 97011040
[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 96996542

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone?
The IUPAC name of [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone (CID 95779663) is [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone?
The canonical SMILES for [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone is Cn1ccc2c(C(=O)N3CCC[C@H]3c3noc(C4CC4)n3)cccc21.
What is the InChIKey of [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone?
The InChIKey is JMHZCXGIJDYGHH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-22-11-9-13-14(4-2-5-15(13)22)19(24)23-10-3-6-16(23)17-20-18(25-21-17)12-7-8-12/h2,4-5,9,11-12,16H,3,6-8,10H2,1H3/t16-/m0/s1.
What are the key properties of [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone?
[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone has a molecular weight of 336.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone is sourced from PubChem (CID 95779663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).