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

C24H32N6O5 — CID 42605527

IUPACN-[3-[2-ethyl-6-methyl-4-[5-[2-(methylamino)-6-propylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
SMILESCCCc1cc(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(CC)c3)no2)nc(NC)n1
InChIInChI=1S/C24H32N6O5/c1-5-7-17-10-19(28-24(25-4)27-17)23-29-22(30-35-23)16-8-14(3)21(15(6-2)9-16)34-13-18(32)11-26-20(33)12-31/h8-10,18,31-32H,5-7,11-13H2,1-4H3,(H,26,33)(H,25,27,28)
InChIKeyWURQIEKBNHDODE-UHFFFAOYSA-N
MW484.56 g/mol
LogP1.91
Rot. Bonds12

About 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

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 (PubChem CID 42605527) has the molecular formula C24H32N6O5 and a molecular weight of 484.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[3-[2-ethyl-6-methyl-4-[5-[2-(methylamino)-6-propylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
PubChem CID42605527
Molecular FormulaC24H32N6O5
Molecular Weight484.56 g/mol
Exact Mass484.24
IUPAC NameN-[3-[2-ethyl-6-methyl-4-[5-[2-(methylamino)-6-propylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
SMILESCCCc1cc(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(CC)c3)no2)nc(NC)n1
InChIInChI=1S/C24H32N6O5/c1-5-7-17-10-19(28-24(25-4)27-17)23-29-22(30-35-23)16-8-14(3)21(15(6-2)9-16)34-13-18(32)11-26-20(33)12-31/h8-10,18,31-32H,5-7,11-13H2,1-4H3,(H,26,33)(H,25,27,28)
InChIKeyWURQIEKBNHDODE-UHFFFAOYSA-N
XLogP1.91
TPSA155.52 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCc1cc(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(CC)c3)no2)nc(NC)n1.
What is the InChIKey of 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?
The InChIKey is WURQIEKBNHDODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O5/c1-5-7-17-10-19(28-24(25-4)27-17)23-29-22(30-35-23)16-8-14(3)21(15(6-2)9-16)34-13-18(32)11-26-20(33)12-31/h8-10,18,31-32H,5-7,11-13H2,1-4H3,(H,26,33)(H,25,27,28).
What are the key properties of 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?
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 has a molecular weight of 484.56 g/mol, XLogP of 1.91, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 42605527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).