5-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one

C16H18N4O3 — CID 126816132

IUPAC5-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one
SMILESCc1noc(C)c1C(C)(C)c1nc(-c2ccc(=O)n(C)c2)no1
InChIInChI=1S/C16H18N4O3/c1-9-13(10(2)22-18-9)16(3,4)15-17-14(19-23-15)11-6-7-12(21)20(5)8-11/h6-8H,1-5H3
InChIKeyAJFYSUQDEYOHDL-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.37
Rot. Bonds3

About 5-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one

5-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one (PubChem CID 126816132) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 5-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one
PubChem CID126816132
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name5-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one
SMILESCc1noc(C)c1C(C)(C)c1nc(-c2ccc(=O)n(C)c2)no1
InChIInChI=1S/C16H18N4O3/c1-9-13(10(2)22-18-9)16(3,4)15-17-14(19-23-15)11-6-7-12(21)20(5)8-11/h6-8H,1-5H3
InChIKeyAJFYSUQDEYOHDL-UHFFFAOYSA-N
XLogP2.37
TPSA86.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one (CID 126816132) is 5-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one is Cc1noc(C)c1C(C)(C)c1nc(-c2ccc(=O)n(C)c2)no1.
What is the InChIKey of 5-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one?
The InChIKey is AJFYSUQDEYOHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-9-13(10(2)22-18-9)16(3,4)15-17-14(19-23-15)11-6-7-12(21)20(5)8-11/h6-8H,1-5H3.
What are the key properties of 5-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one?
5-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one has a molecular weight of 314.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 126816132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).