3-cyclopropyl-5-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]-1,2,4-oxadiazole

C19H21N5O — CID 53182405

IUPAC3-cyclopropyl-5-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]-1,2,4-oxadiazole
SMILESCC1CCN(c2nnc(-c3nc(C4CC4)no3)c3ccccc23)CC1
InChIInChI=1S/C19H21N5O/c1-12-8-10-24(11-9-12)18-15-5-3-2-4-14(15)16(21-22-18)19-20-17(23-25-19)13-6-7-13/h2-5,12-13H,6-11H2,1H3
InChIKeyKVHPAXQQCXJUQE-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.79
Rot. Bonds3

About 3-cyclopropyl-5-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]-1,2,4-oxadiazole

3-cyclopropyl-5-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]-1,2,4-oxadiazole (PubChem CID 53182405) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-cyclopropyl-5-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]-1,2,4-oxadiazole
PubChem CID53182405
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-cyclopropyl-5-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]-1,2,4-oxadiazole
SMILESCC1CCN(c2nnc(-c3nc(C4CC4)no3)c3ccccc23)CC1
InChIInChI=1S/C19H21N5O/c1-12-8-10-24(11-9-12)18-15-5-3-2-4-14(15)16(21-22-18)19-20-17(23-25-19)13-6-7-13/h2-5,12-13H,6-11H2,1H3
InChIKeyKVHPAXQQCXJUQE-UHFFFAOYSA-N
XLogP3.79
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]-1,2,4-oxadiazole (CID 53182405) is 3-cyclopropyl-5-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]-1,2,4-oxadiazole is CC1CCN(c2nnc(-c3nc(C4CC4)no3)c3ccccc23)CC1.
What is the InChIKey of 3-cyclopropyl-5-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]-1,2,4-oxadiazole?
The InChIKey is KVHPAXQQCXJUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12-8-10-24(11-9-12)18-15-5-3-2-4-14(15)16(21-22-18)19-20-17(23-25-19)13-6-7-13/h2-5,12-13H,6-11H2,1H3.
What are the key properties of 3-cyclopropyl-5-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]-1,2,4-oxadiazole has a molecular weight of 335.41 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 53182405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).