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

C24H30N4O5 — CID 140546391

IUPAC(4S)-5-[2-ethyl-4-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide
SMILESCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CC(O)C(N)=O)c(CC)c3)no2)cc(C)n1
InChIInChI=1S/C24H30N4O5/c1-5-15-9-16(7-13(3)21(15)32-12-19(29)11-20(30)22(25)31)23-27-24(33-28-23)17-8-14(4)26-18(6-2)10-17/h7-10,19-20,29-30H,5-6,11-12H2,1-4H3,(H2,25,31)/t19-,20?/m0/s1
InChIKeyHFIWLJKFOHAZJY-XJDOXCRVSA-N
MW454.53 g/mol
LogP2.52
Rot. Bonds10

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

(4S)-5-[2-ethyl-4-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide (PubChem CID 140546391) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is (4S)-5-[2-ethyl-4-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide.

Molecular Properties

Compound Name(4S)-5-[2-ethyl-4-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide
PubChem CID140546391
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC Name(4S)-5-[2-ethyl-4-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide
SMILESCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CC(O)C(N)=O)c(CC)c3)no2)cc(C)n1
InChIInChI=1S/C24H30N4O5/c1-5-15-9-16(7-13(3)21(15)32-12-19(29)11-20(30)22(25)31)23-27-24(33-28-23)17-8-14(4)26-18(6-2)10-17/h7-10,19-20,29-30H,5-6,11-12H2,1-4H3,(H2,25,31)/t19-,20?/m0/s1
InChIKeyHFIWLJKFOHAZJY-XJDOXCRVSA-N
XLogP2.52
TPSA144.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(4S)-5-[2-ethyl-4-[5-(4-formyl-3-methylphenyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide
CID 140560913
(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
(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
1-amino-3-[2-ethyl-6-methyl-4-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol
CID 59234765
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
(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-[4-[5-[3-(butylaminomethyl)-5-propylphenyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxypentanamide
CID 140560922
(4S)-5-[2-ethyl-6-methyl-4-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3,4-thiadiazol-2-yl]phenoxy]-2,4-dihydroxypentanamide
CID 140546395
3-[2-chloro-4-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol
CID 68551053
3-[4-[5-[2-(dimethylamino)-6-ethyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]propane-1,2-diol
CID 69043460
(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

Frequently Asked Questions

What is the IUPAC name of (4S)-5-[2-ethyl-4-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide?
The IUPAC name of (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) is (4S)-5-[2-ethyl-4-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide.
What is the SMILES notation for (4S)-5-[2-ethyl-4-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide?
The canonical SMILES for (4S)-5-[2-ethyl-4-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide is CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CC(O)C(N)=O)c(CC)c3)no2)cc(C)n1.
What is the InChIKey of (4S)-5-[2-ethyl-4-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide?
The InChIKey is HFIWLJKFOHAZJY-XJDOXCRVSA-N. The full InChI is InChI=1S/C24H30N4O5/c1-5-15-9-16(7-13(3)21(15)32-12-19(29)11-20(30)22(25)31)23-27-24(33-28-23)17-8-14(4)26-18(6-2)10-17/h7-10,19-20,29-30H,5-6,11-12H2,1-4H3,(H2,25,31)/t19-,20?/m0/s1.
What are the key properties of (4S)-5-[2-ethyl-4-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide?
(4S)-5-[2-ethyl-4-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide has a molecular weight of 454.53 g/mol, XLogP of 2.52, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-[2-ethyl-4-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide is sourced from PubChem (CID 140546391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).