5-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole

C18H20N4O4 — CID 56875267

IUPAC5-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(Cn3cc4c(n3)CCC4)n2)c(OC)c1OC
InChIInChI=1S/C18H20N4O4/c1-23-14-8-7-12(16(24-2)17(14)25-3)18-19-15(26-21-18)10-22-9-11-5-4-6-13(11)20-22/h7-9H,4-6,10H2,1-3H3
InChIKeyJMWDQOVLLQMSTN-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.50
Rot. Bonds6

About 5-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole

5-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 56875267) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 5-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID56875267
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name5-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(Cn3cc4c(n3)CCC4)n2)c(OC)c1OC
InChIInChI=1S/C18H20N4O4/c1-23-14-8-7-12(16(24-2)17(14)25-3)18-19-15(26-21-18)10-22-9-11-5-4-6-13(11)20-22/h7-9H,4-6,10H2,1-3H3
InChIKeyJMWDQOVLLQMSTN-UHFFFAOYSA-N
XLogP2.50
TPSA84.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-(benzimidazol-1-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
CID 56871077
5-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
CID 45219769
(2R)-N,2-dimethyl-3-pyrrolidin-1-yl-N-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 28735562
5-[[(3S)-3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
CID 28737717
N-[2-[1-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethyl]acetamide
CID 42214799
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
CID 45203283
[3-(2-chloro-3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117427190
2-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 56868729
[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 86261810
3-(3-methoxy-4-methylphenyl)-5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,2,4-oxadiazole
CID 136543131
2-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 95911504
5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1,2,4-oxadiazole
CID 145064896

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole (CID 56875267) is 5-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(Cn3cc4c(n3)CCC4)n2)c(OC)c1OC.
What is the InChIKey of 5-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is JMWDQOVLLQMSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-23-14-8-7-12(16(24-2)17(14)25-3)18-19-15(26-21-18)10-22-9-11-5-4-6-13(11)20-22/h7-9H,4-6,10H2,1-3H3.
What are the key properties of 5-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole?
5-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 356.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-ylmethyl)-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 56875267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).