1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

C18H25N5O2 — CID 110115055

IUPAC1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCc1nccc(C2CCCN(C(=O)CCc3nc(C(C)C)no3)C2)n1
InChIInChI=1S/C18H25N5O2/c1-12(2)18-21-16(25-22-18)6-7-17(24)23-10-4-5-14(11-23)15-8-9-19-13(3)20-15/h8-9,12,14H,4-7,10-11H2,1-3H3
InChIKeyUJZFIBHSAQYKII-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.63
Rot. Bonds5

About 1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 110115055) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID110115055
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCc1nccc(C2CCCN(C(=O)CCc3nc(C(C)C)no3)C2)n1
InChIInChI=1S/C18H25N5O2/c1-12(2)18-21-16(25-22-18)6-7-17(24)23-10-4-5-14(11-23)15-8-9-19-13(3)20-15/h8-9,12,14H,4-7,10-11H2,1-3H3
InChIKeyUJZFIBHSAQYKII-UHFFFAOYSA-N
XLogP2.63
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 110115055) is 1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is Cc1nccc(C2CCCN(C(=O)CCc3nc(C(C)C)no3)C2)n1.
What is the InChIKey of 1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is UJZFIBHSAQYKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12(2)18-21-16(25-22-18)6-7-17(24)23-10-4-5-14(11-23)15-8-9-19-13(3)20-15/h8-9,12,14H,4-7,10-11H2,1-3H3.
What are the key properties of 1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 343.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 110115055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).