5-[6-[3-methoxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole

C19H21N5O2 — CID 164905960

IUPAC5-[6-[3-methoxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCOC1(c2ccccc2C)CCN(c2ccc(-c3nc(C)no3)nn2)C1
InChIInChI=1S/C19H21N5O2/c1-13-6-4-5-7-15(13)19(25-3)10-11-24(12-19)17-9-8-16(21-22-17)18-20-14(2)23-26-18/h4-9H,10-12H2,1-3H3
InChIKeySWQYXSFLFLKPQR-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.90
Rot. Bonds4

About 5-[6-[3-methoxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole

5-[6-[3-methoxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 164905960) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-[6-[3-methoxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[6-[3-methoxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID164905960
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name5-[6-[3-methoxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCOC1(c2ccccc2C)CCN(c2ccc(-c3nc(C)no3)nn2)C1
InChIInChI=1S/C19H21N5O2/c1-13-6-4-5-7-15(13)19(25-3)10-11-24(12-19)17-9-8-16(21-22-17)18-20-14(2)23-26-18/h4-9H,10-12H2,1-3H3
InChIKeySWQYXSFLFLKPQR-UHFFFAOYSA-N
XLogP2.90
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[3-methoxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[6-[3-methoxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole (CID 164905960) is 5-[6-[3-methoxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[6-[3-methoxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[6-[3-methoxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole is COC1(c2ccccc2C)CCN(c2ccc(-c3nc(C)no3)nn2)C1.
What is the InChIKey of 5-[6-[3-methoxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is SWQYXSFLFLKPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-6-4-5-7-15(13)19(25-3)10-11-24(12-19)17-9-8-16(21-22-17)18-20-14(2)23-26-18/h4-9H,10-12H2,1-3H3.
What are the key properties of 5-[6-[3-methoxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole?
5-[6-[3-methoxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 351.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3-methoxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 164905960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).