3-(methoxymethyl)-5-[[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

C14H21N5O2 — CID 99826427

IUPAC3-(methoxymethyl)-5-[[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCc1noc(CN2CCN(Cc3cc[nH]c3)CC2)n1
InChIInChI=1S/C14H21N5O2/c1-20-11-13-16-14(21-17-13)10-19-6-4-18(5-7-19)9-12-2-3-15-8-12/h2-3,8,15H,4-7,9-11H2,1H3
InChIKeyYWBFMDFOYSPLSP-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.86
Rot. Bonds6

About 3-(methoxymethyl)-5-[[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

3-(methoxymethyl)-5-[[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 99826427) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-[[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(methoxymethyl)-5-[[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID99826427
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name3-(methoxymethyl)-5-[[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCc1noc(CN2CCN(Cc3cc[nH]c3)CC2)n1
InChIInChI=1S/C14H21N5O2/c1-20-11-13-16-14(21-17-13)10-19-6-4-18(5-7-19)9-12-2-3-15-8-12/h2-3,8,15H,4-7,9-11H2,1H3
InChIKeyYWBFMDFOYSPLSP-UHFFFAOYSA-N
XLogP0.86
TPSA70.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(methoxymethyl)-5-[[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(methoxymethyl)-5-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 91661796
5-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 133455374
(1,3-dimethylpyrrol-2-yl)-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 136534566
3-(methoxymethyl)-5-[(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-1,2,4-oxadiazole
CID 154571853
3-(methoxymethyl)-5-(4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-5-ylmethyl)-1,2,4-oxadiazole
CID 154763832
3-(methoxymethyl)-5-[[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120904126
[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone
CID 136536784
5-[(4-cyclooct-2-en-1-ylpiperazin-1-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 128512606
3-(methoxymethyl)-5-[[4-(piperidin-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120849673
3-ethyl-5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 51075932
3-(methoxymethyl)-5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole
CID 72889845
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72932689

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-[[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(methoxymethyl)-5-[[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 99826427) is 3-(methoxymethyl)-5-[[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(methoxymethyl)-5-[[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(methoxymethyl)-5-[[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is COCc1noc(CN2CCN(Cc3cc[nH]c3)CC2)n1.
What is the InChIKey of 3-(methoxymethyl)-5-[[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is YWBFMDFOYSPLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-20-11-13-16-14(21-17-13)10-19-6-4-18(5-7-19)9-12-2-3-15-8-12/h2-3,8,15H,4-7,9-11H2,1H3.
What are the key properties of 3-(methoxymethyl)-5-[[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
3-(methoxymethyl)-5-[[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 291.36 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-[[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 99826427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).