(4-chloro-1-methylpyrazol-3-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

C17H16ClN5O2 — CID 70755718

IUPAC(4-chloro-1-methylpyrazol-3-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCn1cc(Cl)c(C(=O)N2CCCC2c2nc(-c3ccccc3)no2)n1
InChIInChI=1S/C17H16ClN5O2/c1-22-10-12(18)14(20-22)17(24)23-9-5-8-13(23)16-19-15(21-25-16)11-6-3-2-4-7-11/h2-4,6-7,10,13H,5,8-9H2,1H3
InChIKeyAREPZYHREHQMEB-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.10
Rot. Bonds3

About (4-chloro-1-methylpyrazol-3-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

(4-chloro-1-methylpyrazol-3-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 70755718) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-3-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-3-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID70755718
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name(4-chloro-1-methylpyrazol-3-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCn1cc(Cl)c(C(=O)N2CCCC2c2nc(-c3ccccc3)no2)n1
InChIInChI=1S/C17H16ClN5O2/c1-22-10-12(18)14(20-22)17(24)23-9-5-8-13(23)16-19-15(21-25-16)11-6-3-2-4-7-11/h2-4,6-7,10,13H,5,8-9H2,1H3
InChIKeyAREPZYHREHQMEB-UHFFFAOYSA-N
XLogP3.10
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-6-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 96574664
[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 91888691
(5-chloro-2-fluorophenyl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 91916619
(1-methylindol-3-yl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 96580779
(3-chlorophenyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 7225630
(4-methoxyphenyl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 813074
(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
[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 91906389
(2-chlorophenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 4528792

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-3-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-3-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 70755718) is (4-chloro-1-methylpyrazol-3-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-3-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-3-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is Cn1cc(Cl)c(C(=O)N2CCCC2c2nc(-c3ccccc3)no2)n1.
What is the InChIKey of (4-chloro-1-methylpyrazol-3-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is AREPZYHREHQMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-22-10-12(18)14(20-22)17(24)23-9-5-8-13(23)16-19-15(21-25-16)11-6-3-2-4-7-11/h2-4,6-7,10,13H,5,8-9H2,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-3-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
(4-chloro-1-methylpyrazol-3-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 357.80 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-3-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70755718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).