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

C12H17N5O — CID 95817558

IUPAC3-methyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2CCCN2Cc2cnn(C)c2)n1
InChIInChI=1S/C12H17N5O/c1-9-14-12(18-15-9)11-4-3-5-17(11)8-10-6-13-16(2)7-10/h6-7,11H,3-5,8H2,1-2H3/t11-/m0/s1
InChIKeyUKINBVQQYCRLLB-NSHDSACASA-N
MW247.30 g/mol
LogP1.45
Rot. Bonds3

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

3-methyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 95817558) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-methyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID95817558
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name3-methyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2CCCN2Cc2cnn(C)c2)n1
InChIInChI=1S/C12H17N5O/c1-9-14-12(18-15-9)11-4-3-5-17(11)8-10-6-13-16(2)7-10/h6-7,11H,3-5,8H2,1-2H3/t11-/m0/s1
InChIKeyUKINBVQQYCRLLB-NSHDSACASA-N
XLogP1.45
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95051321
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
5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95110558
3-methyl-5-[(2S,3R)-2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxan-3-yl]-1,2,4-oxadiazole
CID 167934478
2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95730792
5-methyl-3-[(2R)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 96508274
3-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 122034240
1-methyl-4-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 95841750
1-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole
CID 128978946
5-cyclopropyl-3-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95569691
N-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 125003062

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 95817558) is 3-methyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole is Cc1noc([C@@H]2CCCN2Cc2cnn(C)c2)n1.
What is the InChIKey of 3-methyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is UKINBVQQYCRLLB-NSHDSACASA-N. The full InChI is InChI=1S/C12H17N5O/c1-9-14-12(18-15-9)11-4-3-5-17(11)8-10-6-13-16(2)7-10/h6-7,11H,3-5,8H2,1-2H3/t11-/m0/s1.
What are the key properties of 3-methyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
3-methyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 247.30 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 95817558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).