5-cyclopropyl-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

C15H19N5O — CID 146155362

IUPAC5-cyclopropyl-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESc1cc(N2CCC(Cc3noc(C4CC4)n3)CC2)ncn1
InChIInChI=1S/C15H19N5O/c1-2-12(1)15-18-13(19-21-15)9-11-4-7-20(8-5-11)14-3-6-16-10-17-14/h3,6,10-12H,1-2,4-5,7-9H2
InChIKeyXRMJPXRLBNAQEX-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.20
Rot. Bonds4

About 5-cyclopropyl-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

5-cyclopropyl-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 146155362) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID146155362
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name5-cyclopropyl-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESc1cc(N2CCC(Cc3noc(C4CC4)n3)CC2)ncn1
InChIInChI=1S/C15H19N5O/c1-2-12(1)15-18-13(19-21-15)9-11-4-7-20(8-5-11)14-3-6-16-10-17-14/h3,6,10-12H,1-2,4-5,7-9H2
InChIKeyXRMJPXRLBNAQEX-UHFFFAOYSA-N
XLogP2.20
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (CID 146155362) is 5-cyclopropyl-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is c1cc(N2CCC(Cc3noc(C4CC4)n3)CC2)ncn1.
What is the InChIKey of 5-cyclopropyl-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is XRMJPXRLBNAQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-2-12(1)15-18-13(19-21-15)9-11-4-7-20(8-5-11)14-3-6-16-10-17-14/h3,6,10-12H,1-2,4-5,7-9H2.
What are the key properties of 5-cyclopropyl-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 285.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 146155362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).