5-methyl-3-[(2R)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole

C13H19N5O — CID 96508274

IUPAC5-methyl-3-[(2R)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCc1nc([C@H]2CCCN2CCc2cnn(C)c2)no1
InChIInChI=1S/C13H19N5O/c1-10-15-13(16-19-10)12-4-3-6-18(12)7-5-11-8-14-17(2)9-11/h8-9,12H,3-7H2,1-2H3/t12-/m1/s1
InChIKeyDLNZRWTXKIDJKY-GFCCVEGCSA-N
MW261.33 g/mol
LogP1.49
Rot. Bonds4

About 5-methyl-3-[(2R)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole

5-methyl-3-[(2R)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 96508274) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-methyl-3-[(2R)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[(2R)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID96508274
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name5-methyl-3-[(2R)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCc1nc([C@H]2CCCN2CCc2cnn(C)c2)no1
InChIInChI=1S/C13H19N5O/c1-10-15-13(16-19-10)12-4-3-6-18(12)7-5-11-8-14-17(2)9-11/h8-9,12H,3-7H2,1-2H3/t12-/m1/s1
InChIKeyDLNZRWTXKIDJKY-GFCCVEGCSA-N
XLogP1.49
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methyl-3-[(2R)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-methyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95817558
(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylethyl)morpholine
CID 97344608
3-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one
CID 71934041
3-[1-(imidazo[2,1-b][1,3]thiazol-2-ylmethyl)piperidin-2-yl]-5-methyl-1,2,4-oxadiazole
CID 154781094
3-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one
CID 71875556
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-2-carboxylic acid
CID 107072171
N-(5-chloro-2-pyridinyl)-2-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
CID 97008716
3-methyl-5-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]-1,2-oxazole
CID 92554050
3-methyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]-1,2-oxazole
CID 92554049
3-[2-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 95780007
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 103002711
N-methyl-2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 94453500

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(2R)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[(2R)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 96508274) is 5-methyl-3-[(2R)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[(2R)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[(2R)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole is Cc1nc([C@H]2CCCN2CCc2cnn(C)c2)no1.
What is the InChIKey of 5-methyl-3-[(2R)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is DLNZRWTXKIDJKY-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19N5O/c1-10-15-13(16-19-10)12-4-3-6-18(12)7-5-11-8-14-17(2)9-11/h8-9,12H,3-7H2,1-2H3/t12-/m1/s1.
What are the key properties of 5-methyl-3-[(2R)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
5-methyl-3-[(2R)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 261.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(2R)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 96508274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).