2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole

C23H26ClN5O2 — CID 58128541

IUPAC2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(OCCC3CC3C3CCN(c4ncc(Cl)cn4)CC3)cc2)o1
InChIInChI=1S/C23H26ClN5O2/c1-15-27-28-22(31-15)17-2-4-20(5-3-17)30-11-8-18-12-21(18)16-6-9-29(10-7-16)23-25-13-19(24)14-26-23/h2-5,13-14,16,18,21H,6-12H2,1H3
InChIKeyXLGRJYPXCAOAED-UHFFFAOYSA-N
MW439.95 g/mol
LogP4.81
Rot. Bonds7

About 2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole

2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 58128541) has the molecular formula C23H26ClN5O2 and a molecular weight of 439.95 g/mol. Its IUPAC name is 2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole
PubChem CID58128541
Molecular FormulaC23H26ClN5O2
Molecular Weight439.95 g/mol
Exact Mass439.18
IUPAC Name2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(OCCC3CC3C3CCN(c4ncc(Cl)cn4)CC3)cc2)o1
InChIInChI=1S/C23H26ClN5O2/c1-15-27-28-22(31-15)17-2-4-20(5-3-17)30-11-8-18-12-21(18)16-6-9-29(10-7-16)23-25-13-19(24)14-26-23/h2-5,13-14,16,18,21H,6-12H2,1H3
InChIKeyXLGRJYPXCAOAED-UHFFFAOYSA-N
XLogP4.81
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole (CID 58128541) is 2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2ccc(OCCC3CC3C3CCN(c4ncc(Cl)cn4)CC3)cc2)o1.
What is the InChIKey of 2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is XLGRJYPXCAOAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2/c1-15-27-28-22(31-15)17-2-4-20(5-3-17)30-11-8-18-12-21(18)16-6-9-29(10-7-16)23-25-13-19(24)14-26-23/h2-5,13-14,16,18,21H,6-12H2,1H3.
What are the key properties of 2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole?
2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 439.95 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 58128541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).