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

C14H21N5O3 — CID 91661796

IUPAC3-(methoxymethyl)-5-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCc1noc(CN2CCN(Cc3ncc(C)o3)CC2)n1
InChIInChI=1S/C14H21N5O3/c1-11-7-15-13(21-11)8-18-3-5-19(6-4-18)9-14-16-12(10-20-2)17-22-14/h7H,3-6,8-10H2,1-2H3
InChIKeyBQXAEMRRKWDBHJ-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.83
Rot. Bonds6

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

3-(methoxymethyl)-5-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 91661796) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(methoxymethyl)-5-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID91661796
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name3-(methoxymethyl)-5-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCc1noc(CN2CCN(Cc3ncc(C)o3)CC2)n1
InChIInChI=1S/C14H21N5O3/c1-11-7-15-13(21-11)8-18-3-5-19(6-4-18)9-14-16-12(10-20-2)17-22-14/h7H,3-6,8-10H2,1-2H3
InChIKeyBQXAEMRRKWDBHJ-UHFFFAOYSA-N
XLogP0.83
TPSA80.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(1,3-dimethylpyrrol-2-yl)-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 136534566
3-(methoxymethyl)-5-[[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 99826427
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-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
CID 154738153
[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-(4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-5-ylmethyl)-1,2,4-oxadiazole
CID 154763832
5-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 133455374
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]-[(2R,3R)-2-methyloxan-3-yl]methanone
CID 129401133
1-[4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 24664300
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

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(methoxymethyl)-5-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 91661796) is 3-(methoxymethyl)-5-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(methoxymethyl)-5-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(methoxymethyl)-5-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole is COCc1noc(CN2CCN(Cc3ncc(C)o3)CC2)n1.
What is the InChIKey of 3-(methoxymethyl)-5-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is BQXAEMRRKWDBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-11-7-15-13(21-11)8-18-3-5-19(6-4-18)9-14-16-12(10-20-2)17-22-14/h7H,3-6,8-10H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-5-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
3-(methoxymethyl)-5-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 307.35 g/mol, XLogP of 0.83, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 91661796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).