4-[5-[[2,2-dimethylpropyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one

C15H22N4O2 — CID 139019206

IUPAC4-[5-[[2,2-dimethylpropyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one
SMILESCN(Cc1nc(-c2ccn(C)c(=O)c2)no1)CC(C)(C)C
InChIInChI=1S/C15H22N4O2/c1-15(2,3)10-18(4)9-12-16-14(17-21-12)11-6-7-19(5)13(20)8-11/h6-8H,9-10H2,1-5H3
InChIKeyYDLKGUVMPKDTAX-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.91
Rot. Bonds4

About 4-[5-[[2,2-dimethylpropyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one

4-[5-[[2,2-dimethylpropyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one (PubChem CID 139019206) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-[5-[[2,2-dimethylpropyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[5-[[2,2-dimethylpropyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one
PubChem CID139019206
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name4-[5-[[2,2-dimethylpropyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one
SMILESCN(Cc1nc(-c2ccn(C)c(=O)c2)no1)CC(C)(C)C
InChIInChI=1S/C15H22N4O2/c1-15(2,3)10-18(4)9-12-16-14(17-21-12)11-6-7-19(5)13(20)8-11/h6-8H,9-10H2,1-5H3
InChIKeyYDLKGUVMPKDTAX-UHFFFAOYSA-N
XLogP1.91
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[[2,2-dimethylpropyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[5-[[2,2-dimethylpropyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one (CID 139019206) is 4-[5-[[2,2-dimethylpropyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[5-[[2,2-dimethylpropyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[5-[[2,2-dimethylpropyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one is CN(Cc1nc(-c2ccn(C)c(=O)c2)no1)CC(C)(C)C.
What is the InChIKey of 4-[5-[[2,2-dimethylpropyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one?
The InChIKey is YDLKGUVMPKDTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-15(2,3)10-18(4)9-12-16-14(17-21-12)11-6-7-19(5)13(20)8-11/h6-8H,9-10H2,1-5H3.
What are the key properties of 4-[5-[[2,2-dimethylpropyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one?
4-[5-[[2,2-dimethylpropyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one has a molecular weight of 290.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[2,2-dimethylpropyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 139019206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).