[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone

C19H20N4O2 — CID 91782819

IUPAC[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
SMILESCC(C)c1cc(C2CCCN2C(=O)c2cnc3ccccc3n2)no1
InChIInChI=1S/C19H20N4O2/c1-12(2)18-10-15(22-25-18)17-8-5-9-23(17)19(24)16-11-20-13-6-3-4-7-14(13)21-16/h3-4,6-7,10-12,17H,5,8-9H2,1-2H3
InChIKeyWGHUVOUDHITVLN-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.72
Rot. Bonds3

About [2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone

[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 91782819) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is [2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID91782819
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
SMILESCC(C)c1cc(C2CCCN2C(=O)c2cnc3ccccc3n2)no1
InChIInChI=1S/C19H20N4O2/c1-12(2)18-10-15(22-25-18)17-8-5-9-23(17)19(24)16-11-20-13-6-3-4-7-14(13)21-16/h3-4,6-7,10-12,17H,5,8-9H2,1-2H3
InChIKeyWGHUVOUDHITVLN-UHFFFAOYSA-N
XLogP3.72
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-fluorophenyl)-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731704
(2-methyl-1,3-thiazol-4-yl)-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 95136623
1-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95051971
(3-methylphenyl)-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 95052029
(4-fluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 22586683
(4-fluorophenyl)-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731701
(3-fluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 22586684
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92893500
(2R)-N-phenyl-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070295
[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 95286366
3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one
CID 97117905
(2R)-N-cyclohexyl-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070287

Frequently Asked Questions

What is the IUPAC name of [2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone (CID 91782819) is [2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone is CC(C)c1cc(C2CCCN2C(=O)c2cnc3ccccc3n2)no1.
What is the InChIKey of [2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is WGHUVOUDHITVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12(2)18-10-15(22-25-18)17-8-5-9-23(17)19(24)16-11-20-13-6-3-4-7-14(13)21-16/h3-4,6-7,10-12,17H,5,8-9H2,1-2H3.
What are the key properties of [2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone?
[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 336.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 91782819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).