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

C25H34N6O5 — CID 68505037

IUPACN-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
SMILESCCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)n3)n2)cc(C)c1OCC(O)CNC(=O)CO
InChIInChI=1S/C25H34N6O5/c1-6-17-11-18(9-15(4)22(17)35-14-19(33)12-26-21(34)13-32)23-29-24(36-30-23)20-10-16(5)27-25(28-20)31(7-2)8-3/h9-11,19,32-33H,6-8,12-14H2,1-5H3,(H,26,34)
InChIKeyKWMJNYJWINDJKM-UHFFFAOYSA-N
MW498.58 g/mol
LogP2.07
Rot. Bonds12

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

N-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (PubChem CID 68505037) has the molecular formula C25H34N6O5 and a molecular weight of 498.58 g/mol. Its IUPAC name is N-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
PubChem CID68505037
Molecular FormulaC25H34N6O5
Molecular Weight498.58 g/mol
Exact Mass498.26
IUPAC NameN-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
SMILESCCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)n3)n2)cc(C)c1OCC(O)CNC(=O)CO
InChIInChI=1S/C25H34N6O5/c1-6-17-11-18(9-15(4)22(17)35-14-19(33)12-26-21(34)13-32)23-29-24(36-30-23)20-10-16(5)27-25(28-20)31(7-2)8-3/h9-11,19,32-33H,6-8,12-14H2,1-5H3,(H,26,34)
InChIKeyKWMJNYJWINDJKM-UHFFFAOYSA-N
XLogP2.07
TPSA146.73 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 52.07
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]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 42607024
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
(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-[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-[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-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-[4-[5-[4-[(dimethylamino)methyl]-3-ethylphenyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 66932184
N-[3-[2-ethyl-4-[5-(3-formyl-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 87208918
N-[(2S)-3-[2-ethyl-4-[5-(5-formyl-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 86646444
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-[(2R)-3-[2-ethyl-4-[5-[2-methoxy-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 68556887

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-ethyl-6-methylphenoxy]-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-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (CID 68505037) is N-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-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-ethyl-6-methylphenoxy]-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-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is CCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)n3)n2)cc(C)c1OCC(O)CNC(=O)CO.
What is the InChIKey of N-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
The InChIKey is KWMJNYJWINDJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O5/c1-6-17-11-18(9-15(4)22(17)35-14-19(33)12-26-21(34)13-32)23-29-24(36-30-23)20-10-16(5)27-25(28-20)31(7-2)8-3/h9-11,19,32-33H,6-8,12-14H2,1-5H3,(H,26,34).
What are the key properties of N-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
N-[3-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide has a molecular weight of 498.58 g/mol, XLogP of 2.07, 12 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-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is sourced from PubChem (CID 68505037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).