(1,3-dimethylpyrrol-2-yl)-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone

C16H23N5O3 — CID 136534566

IUPAC(1,3-dimethylpyrrol-2-yl)-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCOCc1noc(CN2CCN(C(=O)c3c(C)ccn3C)CC2)n1
InChIInChI=1S/C16H23N5O3/c1-12-4-5-19(2)15(12)16(22)21-8-6-20(7-9-21)10-14-17-13(11-23-3)18-24-14/h4-5H,6-11H2,1-3H3
InChIKeyFEUNTOGDCLBUQF-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.82
Rot. Bonds5

About (1,3-dimethylpyrrol-2-yl)-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone

(1,3-dimethylpyrrol-2-yl)-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone (PubChem CID 136534566) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is (1,3-dimethylpyrrol-2-yl)-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrrol-2-yl)-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
PubChem CID136534566
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name(1,3-dimethylpyrrol-2-yl)-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCOCc1noc(CN2CCN(C(=O)c3c(C)ccn3C)CC2)n1
InChIInChI=1S/C16H23N5O3/c1-12-4-5-19(2)15(12)16(22)21-8-6-20(7-9-21)10-14-17-13(11-23-3)18-24-14/h4-5H,6-11H2,1-3H3
InChIKeyFEUNTOGDCLBUQF-UHFFFAOYSA-N
XLogP0.82
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone
CID 136536784
3-(methoxymethyl)-5-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 91661796
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 136534115
3-(methoxymethyl)-5-[[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 99826427
[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 138387850
[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone
CID 129401133
(2-chlorophenyl)-[4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 24585821
N-[5-fluoro-2-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]furan-3-carboxamide
CID 86803317
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 167917176
1-[4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 24664300
furan-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 34955899
(1,5-dimethylpyrrol-2-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 56821294

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrrol-2-yl)-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (1,3-dimethylpyrrol-2-yl)-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone (CID 136534566) is (1,3-dimethylpyrrol-2-yl)-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrrol-2-yl)-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrrol-2-yl)-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone is COCc1noc(CN2CCN(C(=O)c3c(C)ccn3C)CC2)n1.
What is the InChIKey of (1,3-dimethylpyrrol-2-yl)-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is FEUNTOGDCLBUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-12-4-5-19(2)15(12)16(22)21-8-6-20(7-9-21)10-14-17-13(11-23-3)18-24-14/h4-5H,6-11H2,1-3H3.
What are the key properties of (1,3-dimethylpyrrol-2-yl)-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
(1,3-dimethylpyrrol-2-yl)-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 333.39 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrrol-2-yl)-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 136534566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).