5-[1-[(2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole

C21H25N5O — CID 131929981

IUPAC5-[1-[(2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(C2CCN(Cc3cnc(-c4ccccc4)nc3)CC2)n1
InChIInChI=1S/C21H25N5O/c1-15(2)19-24-21(27-25-19)18-8-10-26(11-9-18)14-16-12-22-20(23-13-16)17-6-4-3-5-7-17/h3-7,12-13,15,18H,8-11,14H2,1-2H3
InChIKeyRQRBRNLOHXVGRC-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.03
Rot. Bonds5

About 5-[1-[(2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[1-[(2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 131929981) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 5-[1-[(2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID131929981
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name5-[1-[(2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(C2CCN(Cc3cnc(-c4ccccc4)nc3)CC2)n1
InChIInChI=1S/C21H25N5O/c1-15(2)19-24-21(27-25-19)18-8-10-26(11-9-18)14-16-12-22-20(23-13-16)17-6-4-3-5-7-17/h3-7,12-13,15,18H,8-11,14H2,1-2H3
InChIKeyRQRBRNLOHXVGRC-UHFFFAOYSA-N
XLogP4.03
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 131929981) is 5-[1-[(2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(C2CCN(Cc3cnc(-c4ccccc4)nc3)CC2)n1.
What is the InChIKey of 5-[1-[(2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is RQRBRNLOHXVGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15(2)19-24-21(27-25-19)18-8-10-26(11-9-18)14-16-12-22-20(23-13-16)17-6-4-3-5-7-17/h3-7,12-13,15,18H,8-11,14H2,1-2H3.
What are the key properties of 5-[1-[(2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[1-[(2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 363.47 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-phenylpyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 131929981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).