2-methyl-6-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-3-one

C18H17N5O3 — CID 96574664

IUPAC2-methyl-6-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-3-one
SMILESCn1nc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)ccc1=O
InChIInChI=1S/C18H17N5O3/c1-22-15(24)10-9-13(20-22)18(25)23-11-5-8-14(23)17-19-16(21-26-17)12-6-3-2-4-7-12/h2-4,6-7,9-10,14H,5,8,11H2,1H3/t14-/m1/s1
InChIKeyVGECZNSYYASRMW-CQSZACIVSA-N
MW351.37 g/mol
LogP1.81
Rot. Bonds3

About 2-methyl-6-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-3-one

2-methyl-6-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-3-one (PubChem CID 96574664) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-methyl-6-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-3-one
PubChem CID96574664
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name2-methyl-6-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-3-one
SMILESCn1nc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)ccc1=O
InChIInChI=1S/C18H17N5O3/c1-22-15(24)10-9-13(20-22)18(25)23-11-5-8-14(23)17-19-16(21-26-17)12-6-3-2-4-7-12/h2-4,6-7,9-10,14H,5,8,11H2,1H3/t14-/m1/s1
InChIKeyVGECZNSYYASRMW-CQSZACIVSA-N
XLogP1.81
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-6-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-3-one with MolForge

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Related Compounds

[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 91906389
[1-(difluoromethyl)pyrazol-3-yl]-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 97208309
(4-chloro-1-methylpyrazol-3-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70755718
[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 91888691
(4-methoxyphenyl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 813074
[1-(2-aminoethyl)triazol-4-yl]-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 97116754
(4-fluorophenyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 813072
(3,4-dimethylphenyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 125127342
(4-ethylphenyl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 813101
cyclopentyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 42765321
(2-methyl-1,3-thiazol-5-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70769319
(1-methylindol-3-yl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 96580779

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-3-one (CID 96574664) is 2-methyl-6-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-3-one is Cn1nc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)ccc1=O.
What is the InChIKey of 2-methyl-6-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-3-one?
The InChIKey is VGECZNSYYASRMW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-22-15(24)10-9-13(20-22)18(25)23-11-5-8-14(23)17-19-16(21-26-17)12-6-3-2-4-7-12/h2-4,6-7,9-10,14H,5,8,11H2,1H3/t14-/m1/s1.
What are the key properties of 2-methyl-6-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-3-one?
2-methyl-6-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-3-one has a molecular weight of 351.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 96574664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).