5-cyclohex-3-en-1-yl-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole

C17H20N4O — CID 45247859

IUPAC5-cyclohex-3-en-1-yl-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole
SMILESCc1ncc2c(c1-c1noc(C3CC=CCC3)n1)CCNC2
InChIInChI=1S/C17H20N4O/c1-11-15(14-7-8-18-9-13(14)10-19-11)16-20-17(22-21-16)12-5-3-2-4-6-12/h2-3,10,12,18H,4-9H2,1H3
InChIKeySPGZNTQLNMQCSB-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.91
Rot. Bonds2

About 5-cyclohex-3-en-1-yl-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole

5-cyclohex-3-en-1-yl-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole (PubChem CID 45247859) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-cyclohex-3-en-1-yl-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclohex-3-en-1-yl-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole
PubChem CID45247859
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name5-cyclohex-3-en-1-yl-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole
SMILESCc1ncc2c(c1-c1noc(C3CC=CCC3)n1)CCNC2
InChIInChI=1S/C17H20N4O/c1-11-15(14-7-8-18-9-13(14)10-19-11)16-20-17(22-21-16)12-5-3-2-4-6-12/h2-3,10,12,18H,4-9H2,1H3
InChIKeySPGZNTQLNMQCSB-UHFFFAOYSA-N
XLogP2.91
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohex-3-en-1-yl-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclohex-3-en-1-yl-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole (CID 45247859) is 5-cyclohex-3-en-1-yl-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclohex-3-en-1-yl-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclohex-3-en-1-yl-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole is Cc1ncc2c(c1-c1noc(C3CC=CCC3)n1)CCNC2.
What is the InChIKey of 5-cyclohex-3-en-1-yl-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole?
The InChIKey is SPGZNTQLNMQCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-11-15(14-7-8-18-9-13(14)10-19-11)16-20-17(22-21-16)12-5-3-2-4-6-12/h2-3,10,12,18H,4-9H2,1H3.
What are the key properties of 5-cyclohex-3-en-1-yl-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole?
5-cyclohex-3-en-1-yl-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole has a molecular weight of 296.37 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-3-en-1-yl-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 45247859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).