(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

C23H29N5O6 — CID 140553730

IUPAC(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
SMILESCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CC(O)C(N)=O)c(C)c3)no2)nc(OC(C)C)n1
InChIInChI=1S/C23H29N5O6/c1-11(2)33-23-25-14(5)8-17(26-23)22-27-21(28-34-22)15-6-12(3)19(13(4)7-15)32-10-16(29)9-18(30)20(24)31/h6-8,11,16,18,29-30H,9-10H2,1-5H3,(H2,24,31)/t16-,18?/m0/s1
InChIKeyQXAJDGQYURIYQS-ATNAJCNCSA-N
MW471.51 g/mol
LogP1.88
Rot. Bonds10

About (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

(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 (PubChem CID 140553730) has the molecular formula C23H29N5O6 and a molecular weight of 471.51 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID140553730
Molecular FormulaC23H29N5O6
Molecular Weight471.51 g/mol
Exact Mass471.21
IUPAC Name(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
SMILESCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CC(O)C(N)=O)c(C)c3)no2)nc(OC(C)C)n1
InChIInChI=1S/C23H29N5O6/c1-11(2)33-23-25-14(5)8-17(26-23)22-27-21(28-34-22)15-6-12(3)19(13(4)7-15)32-10-16(29)9-18(30)20(24)31/h6-8,11,16,18,29-30H,9-10H2,1-5H3,(H2,24,31)/t16-,18?/m0/s1
InChIKeyQXAJDGQYURIYQS-ATNAJCNCSA-N
XLogP1.88
TPSA166.71 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (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 with MolForge

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Related Compounds

(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
(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
5-[2-ethyl-4-[5-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide
CID 68735300
(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
(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
(4R)-5-[2-chloro-6-methyl-4-[5-[5-methyl-4-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,4-dihydroxypentanamide
CID 140553819
(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-[2,6-diethyl-4-[5-[5-methyl-4-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2,4-dihydroxypentanamide
CID 140553802
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
3-[4-[5-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]propane-1,2-diol
CID 59272939
(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-[2,6-dimethyl-4-[5-(6-methyl-2-propan-2-yloxypyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2,4-dihydroxypentanamide?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CC(O)C(N)=O)c(C)c3)no2)nc(OC(C)C)n1.
What is the InChIKey of (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?
The InChIKey is QXAJDGQYURIYQS-ATNAJCNCSA-N. The full InChI is InChI=1S/C23H29N5O6/c1-11(2)33-23-25-14(5)8-17(26-23)22-27-21(28-34-22)15-6-12(3)19(13(4)7-15)32-10-16(29)9-18(30)20(24)31/h6-8,11,16,18,29-30H,9-10H2,1-5H3,(H2,24,31)/t16-,18?/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 471.51 g/mol, XLogP of 1.88, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 140553730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).