2-cyclopentyl-5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole

C19H21N5O2 — CID 121257246

IUPAC2-cyclopentyl-5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
SMILESCOc1cc(C)cc(-c2ncn(/C=C\c3nnc(C4CCCC4)o3)n2)c1
InChIInChI=1S/C19H21N5O2/c1-13-9-15(11-16(10-13)25-2)18-20-12-24(23-18)8-7-17-21-22-19(26-17)14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3/b8-7-
InChIKeySVKOLJDSCWPWTC-FPLPWBNLSA-N
MW351.41 g/mol
LogP3.93
Rot. Bonds5

About 2-cyclopentyl-5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole

2-cyclopentyl-5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (PubChem CID 121257246) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-cyclopentyl-5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopentyl-5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
PubChem CID121257246
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-cyclopentyl-5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
SMILESCOc1cc(C)cc(-c2ncn(/C=C\c3nnc(C4CCCC4)o3)n2)c1
InChIInChI=1S/C19H21N5O2/c1-13-9-15(11-16(10-13)25-2)18-20-12-24(23-18)8-7-17-21-22-19(26-17)14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3/b8-7-
InChIKeySVKOLJDSCWPWTC-FPLPWBNLSA-N
XLogP3.93
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopentyl-5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole (CID 121257246) is 2-cyclopentyl-5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopentyl-5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopentyl-5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is COc1cc(C)cc(-c2ncn(/C=C\c3nnc(C4CCCC4)o3)n2)c1.
What is the InChIKey of 2-cyclopentyl-5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
The InChIKey is SVKOLJDSCWPWTC-FPLPWBNLSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-9-15(11-16(10-13)25-2)18-20-12-24(23-18)8-7-17-21-22-19(26-17)14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3/b8-7-.
What are the key properties of 2-cyclopentyl-5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole?
2-cyclopentyl-5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole has a molecular weight of 351.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 121257246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).