(4S)-5-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxypentanamide

C25H34N6O5 — CID 140553737

IUPAC(4S)-5-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxypentanamide
SMILESCCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)n3)n2)cc(C)c1OC[C@@H](O)CC(O)C(N)=O
InChIInChI=1S/C25H34N6O5/c1-6-16-11-17(9-14(4)21(16)35-13-18(32)12-20(33)22(26)34)23-29-24(36-30-23)19-10-15(5)27-25(28-19)31(7-2)8-3/h9-11,18,20,32-33H,6-8,12-13H2,1-5H3,(H2,26,34)/t18-,20?/m0/s1
InChIKeyLZNWFKIIQNBSLD-LROBGIAVSA-N
MW498.58 g/mol
LogP2.20
Rot. Bonds12

About (4S)-5-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxypentanamide

(4S)-5-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxypentanamide (PubChem CID 140553737) has the molecular formula C25H34N6O5 and a molecular weight of 498.58 g/mol. Its IUPAC name is (4S)-5-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxypentanamide.

Molecular Properties

Compound Name(4S)-5-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxypentanamide
PubChem CID140553737
Molecular FormulaC25H34N6O5
Molecular Weight498.58 g/mol
Exact Mass498.26
IUPAC Name(4S)-5-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxypentanamide
SMILESCCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)n3)n2)cc(C)c1OC[C@@H](O)CC(O)C(N)=O
InChIInChI=1S/C25H34N6O5/c1-6-16-11-17(9-14(4)21(16)35-13-18(32)12-20(33)22(26)34)23-29-24(36-30-23)19-10-15(5)27-25(28-19)31(7-2)8-3/h9-11,18,20,32-33H,6-8,12-13H2,1-5H3,(H2,26,34)/t18-,20?/m0/s1
InChIKeyLZNWFKIIQNBSLD-LROBGIAVSA-N
XLogP2.20
TPSA160.72 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 ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (4S)-5-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxypentanamide with MolForge

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Related Compounds

5-[2-ethyl-4-[5-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide
CID 68735300
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
(4S)-5-[2-ethyl-4-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide
CID 140546391
(4S)-5-[2-ethyl-6-methyl-4-[5-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,4-dihydroxypentanamide
CID 140559224
(4S)-5-[2,6-dimethyl-4-[5-(6-methyl-2-propan-2-yloxypyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2,4-dihydroxypentanamide
CID 140553730
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
(4S)-5-[2-ethyl-4-[5-(4-formyl-3-methylphenyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide
CID 140560913
(4S)-5-[2-chloro-6-methyl-4-[5-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,4-dihydroxypentanamide
CID 140553710
(4R)-2,4-dihydroxy-5-[2-methyl-4-[5-(2-methyl-6-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]pentanamide
CID 140546365
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
5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-3-[4-[2-(dimethylsulfamoylamino)ethoxy]-3-ethyl-5-methylphenyl]-1,2,4-oxadiazole
CID 68509836
(4S)-5-[4-[5-[3-(butylaminomethyl)-5-propylphenyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxypentanamide
CID 140560922

Frequently Asked Questions

What is the IUPAC name of (4S)-5-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxypentanamide?
The IUPAC name of (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) is (4S)-5-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxypentanamide.
What is the SMILES notation for (4S)-5-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxypentanamide?
The canonical SMILES for (4S)-5-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxypentanamide is CCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)n3)n2)cc(C)c1OC[C@@H](O)CC(O)C(N)=O.
What is the InChIKey of (4S)-5-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxypentanamide?
The InChIKey is LZNWFKIIQNBSLD-LROBGIAVSA-N. The full InChI is InChI=1S/C25H34N6O5/c1-6-16-11-17(9-14(4)21(16)35-13-18(32)12-20(33)22(26)34)23-29-24(36-30-23)19-10-15(5)27-25(28-19)31(7-2)8-3/h9-11,18,20,32-33H,6-8,12-13H2,1-5H3,(H2,26,34)/t18-,20?/m0/s1.
What are the key properties of (4S)-5-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxypentanamide?
(4S)-5-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxypentanamide has a molecular weight of 498.58 g/mol, XLogP of 2.20, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxypentanamide is sourced from PubChem (CID 140553737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).