[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

C19H21N5O3 — CID 70710458

IUPAC[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3cccnc3)no2)on1
InChIInChI=1S/C19H21N5O3/c1-12(2)9-14-10-16(26-22-14)19(25)24-8-4-6-15(24)18-21-17(23-27-18)13-5-3-7-20-11-13/h3,5,7,10-12,15H,4,6,8-9H2,1-2H3/t15-/m0/s1
InChIKeyRMHRLMNUIQWRLL-HNNXBMFYSA-N
MW367.41 g/mol
LogP3.30
Rot. Bonds5

About [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 70710458) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID70710458
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3cccnc3)no2)on1
InChIInChI=1S/C19H21N5O3/c1-12(2)9-14-10-16(26-22-14)19(25)24-8-4-6-15(24)18-21-17(23-27-18)13-5-3-7-20-11-13/h3,5,7,10-12,15H,4,6,8-9H2,1-2H3/t15-/m0/s1
InChIKeyRMHRLMNUIQWRLL-HNNXBMFYSA-N
XLogP3.30
TPSA98.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(3-propan-2-yl-1,2-oxazol-5-yl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 110225014
(6-methyl-3-pyridinyl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 53192007
(6-methyl-3-pyridinyl)-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95110782
phenyl-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 92573988
[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-thiophen-2-ylmethanone
CID 110225360
2-cyclopentyl-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 95110779
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]methanone
CID 125026661
[(2S)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 97141342
(5-propyl-1,2-oxazol-3-yl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 110225015
[(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95116507
[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 91888691
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 70746719

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 70710458) is [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is CC(C)Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3cccnc3)no2)on1.
What is the InChIKey of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is RMHRLMNUIQWRLL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12(2)9-14-10-16(26-22-14)19(25)24-8-4-6-15(24)18-21-17(23-27-18)13-5-3-7-20-11-13/h3,5,7,10-12,15H,4,6,8-9H2,1-2H3/t15-/m0/s1.
What are the key properties of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 367.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70710458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).