2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidine-1-carboxamide

C18H20N6O2 — CID 118779738

IUPAC2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(C2CCCN2C(=O)Nc2cc(-c3cccnc3)nn2C)no1
InChIInChI=1S/C18H20N6O2/c1-12-9-15(22-26-12)16-6-4-8-24(16)18(25)20-17-10-14(21-23(17)2)13-5-3-7-19-11-13/h3,5,7,9-11,16H,4,6,8H2,1-2H3,(H,20,25)
InChIKeyWDVCSBQEOMPZLX-UHFFFAOYSA-N
MW352.40 g/mol
LogP3.15
Rot. Bonds3

About 2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidine-1-carboxamide

2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 118779738) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID118779738
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(C2CCCN2C(=O)Nc2cc(-c3cccnc3)nn2C)no1
InChIInChI=1S/C18H20N6O2/c1-12-9-15(22-26-12)16-6-4-8-24(16)18(25)20-17-10-14(21-23(17)2)13-5-3-7-19-11-13/h3,5,7,9-11,16H,4,6,8H2,1-2H3,(H,20,25)
InChIKeyWDVCSBQEOMPZLX-UHFFFAOYSA-N
XLogP3.15
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-1-carboxamide
CID 125179035
2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-1-carboxamide
CID 118789446
[2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 110225920
(2S)-N-(4-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 94035214
1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 126442291
N-(2,4-difluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 53009661
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 74241052
(2R)-N-cyclohexyl-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070285
N-(1,3-benzodioxol-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 50946008
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidine-1-carboxamide (CID 118779738) is 2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidine-1-carboxamide is Cc1cc(C2CCCN2C(=O)Nc2cc(-c3cccnc3)nn2C)no1.
What is the InChIKey of 2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is WDVCSBQEOMPZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-12-9-15(22-26-12)16-6-4-8-24(16)18(25)20-17-10-14(21-23(17)2)13-5-3-7-19-11-13/h3,5,7,9-11,16H,4,6,8H2,1-2H3,(H,20,25).
What are the key properties of 2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidine-1-carboxamide?
2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 118779738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).