[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone

C23H23N5O3 — CID 53140931

IUPAC[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone
SMILESCOc1ccccc1-c1nc(C2CCCN(C(=O)c3nn(C)c4ccccc34)C2)no1
InChIInChI=1S/C23H23N5O3/c1-27-18-11-5-3-9-16(18)20(25-27)23(29)28-13-7-8-15(14-28)21-24-22(31-26-21)17-10-4-6-12-19(17)30-2/h3-6,9-12,15H,7-8,13-14H2,1-2H3
InChIKeyLYIAMFNEXPJPFG-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.65
Rot. Bonds4

About [3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone

[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone (PubChem CID 53140931) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is [3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone
PubChem CID53140931
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone
SMILESCOc1ccccc1-c1nc(C2CCCN(C(=O)c3nn(C)c4ccccc34)C2)no1
InChIInChI=1S/C23H23N5O3/c1-27-18-11-5-3-9-16(18)20(25-27)23(29)28-13-7-8-15(14-28)21-24-22(31-26-21)17-10-4-6-12-19(17)30-2/h3-6,9-12,15H,7-8,13-14H2,1-2H3
InChIKeyLYIAMFNEXPJPFG-UHFFFAOYSA-N
XLogP3.65
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone?
The IUPAC name of [3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone (CID 53140931) is [3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for [3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone?
The canonical SMILES for [3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone is COc1ccccc1-c1nc(C2CCCN(C(=O)c3nn(C)c4ccccc34)C2)no1.
What is the InChIKey of [3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone?
The InChIKey is LYIAMFNEXPJPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-27-18-11-5-3-9-16(18)20(25-27)23(29)28-13-7-8-15(14-28)21-24-22(31-26-21)17-10-4-6-12-19(17)30-2/h3-6,9-12,15H,7-8,13-14H2,1-2H3.
What are the key properties of [3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone?
[3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone has a molecular weight of 417.47 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 53140931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).