3-(2-methoxyethyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

C16H25N5O2 — CID 56780730

IUPAC3-(2-methoxyethyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCCc1noc(CN2CCCC2c2c(C)nn(C)c2C)n1
InChIInChI=1S/C16H25N5O2/c1-11-16(12(2)20(3)18-11)13-6-5-8-21(13)10-15-17-14(19-23-15)7-9-22-4/h13H,5-10H2,1-4H3
InChIKeyZDPBUPJGBLBHNZ-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.95
Rot. Bonds6

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

3-(2-methoxyethyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 56780730) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID56780730
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name3-(2-methoxyethyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCCc1noc(CN2CCCC2c2c(C)nn(C)c2C)n1
InChIInChI=1S/C16H25N5O2/c1-11-16(12(2)20(3)18-11)13-6-5-8-21(13)10-15-17-14(19-23-15)7-9-22-4/h13H,5-10H2,1-4H3
InChIKeyZDPBUPJGBLBHNZ-UHFFFAOYSA-N
XLogP1.95
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 16191178
5-[[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 53623832
3-Cyclopropyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56780714
5-[[2-(5-Methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 72141440
3-Cyclopropyl-5-[[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 72141489
5-[[2-(5-Methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 72141494
5-[[2-(5-Chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 72141554
5-[[2-(5-Chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 72141591
3-[[2-(5-Chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 72141599
5-Cyclopropyl-3-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 72141636
5-[[2-[(3,5-Dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 72141885
1-[2-Methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 91911328

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (CID 56780730) is 3-(2-methoxyethyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is COCCc1noc(CN2CCCC2c2c(C)nn(C)c2C)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is ZDPBUPJGBLBHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-11-16(12(2)20(3)18-11)13-6-5-8-21(13)10-15-17-14(19-23-15)7-9-22-4/h13H,5-10H2,1-4H3.
What are the key properties of 3-(2-methoxyethyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 319.41 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56780730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).