N-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

C24H32N6O5 — CID 42607024

IUPACN-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
SMILESCCN(CC)c1nc(C)cc(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(C)c3)no2)n1
InChIInChI=1S/C24H32N6O5/c1-6-30(7-2)24-26-16(5)10-19(27-24)23-28-22(29-35-23)17-8-14(3)21(15(4)9-17)34-13-18(32)11-25-20(33)12-31/h8-10,18,31-32H,6-7,11-13H2,1-5H3,(H,25,33)
InChIKeyMXZYCVMPUAICSE-UHFFFAOYSA-N
MW484.56 g/mol
LogP1.81
Rot. Bonds11

About N-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

N-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (PubChem CID 42607024) has the molecular formula C24H32N6O5 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
PubChem CID42607024
Molecular FormulaC24H32N6O5
Molecular Weight484.56 g/mol
Exact Mass484.24
IUPAC NameN-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
SMILESCCN(CC)c1nc(C)cc(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(C)c3)no2)n1
InChIInChI=1S/C24H32N6O5/c1-6-30(7-2)24-26-16(5)10-19(27-24)23-28-22(29-35-23)17-8-14(3)21(15(4)9-17)34-13-18(32)11-25-20(33)12-31/h8-10,18,31-32H,6-7,11-13H2,1-5H3,(H,25,33)
InChIKeyMXZYCVMPUAICSE-UHFFFAOYSA-N
XLogP1.81
TPSA146.73 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 68505037
N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[6-methyl-2-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 68505058
N-[(2R)-3-[4-[3-[2-(diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 25070174
2-hydroxy-N-[2-hydroxy-3-[4-[5-(4-methoxy-6-pentan-3-yl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propyl]acetamide
CID 68629875
(4S)-5-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxypentanamide
CID 140553737
N-[3-[4-[5-[2-(cyclopropylmethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 68505896
N-[3-[2-ethyl-4-[3-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 25031864
N-[3-[4-[5-[4-[(dimethylamino)methyl]-3-methylphenyl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 66932122
N-[(2S)-3-[2,6-dimethyl-4-[5-[3-methyl-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 24831542
2-hydroxy-N-[(2S)-2-hydroxy-3-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]propyl]acetamide
CID 25031142
N-[3-[2-ethyl-6-methyl-4-[5-[2-(methylamino)-6-propylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 42605527
N-[3-[2,6-dimethyl-4-[5-[4-methyl-5-[[methyl(propyl)amino]methyl]thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 66829271

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
The IUPAC name of N-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (CID 42607024) is N-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
The canonical SMILES for N-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is CCN(CC)c1nc(C)cc(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(C)c3)no2)n1.
What is the InChIKey of N-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
The InChIKey is MXZYCVMPUAICSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O5/c1-6-30(7-2)24-26-16(5)10-19(27-24)23-28-22(29-35-23)17-8-14(3)21(15(4)9-17)34-13-18(32)11-25-20(33)12-31/h8-10,18,31-32H,6-7,11-13H2,1-5H3,(H,25,33).
What are the key properties of N-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
N-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide has a molecular weight of 484.56 g/mol, XLogP of 1.81, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is sourced from PubChem (CID 42607024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).