(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

C26H35N3O5S — CID 140553802

IUPAC(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
SMILESCCc1cc(-c2noc(-c3cc(CC(C)C)c(C)s3)n2)cc(CC)c1OC[C@@H](O)CC(O)C(N)=O
InChIInChI=1S/C26H35N3O5S/c1-6-16-9-19(10-17(7-2)23(16)33-13-20(30)12-21(31)24(27)32)25-28-26(34-29-25)22-11-18(8-14(3)4)15(5)35-22/h9-11,14,20-21,30-31H,6-8,12-13H2,1-5H3,(H2,27,32)/t20-,21?/m0/s1
InChIKeyNWFBTNIYNIVKQV-BGERDNNASA-N
MW501.65 g/mol
LogP4.07
Rot. Bonds12

About (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

(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 (PubChem CID 140553802) has the molecular formula C26H35N3O5S and a molecular weight of 501.65 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID140553802
Molecular FormulaC26H35N3O5S
Molecular Weight501.65 g/mol
Exact Mass501.23
IUPAC Name(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
SMILESCCc1cc(-c2noc(-c3cc(CC(C)C)c(C)s3)n2)cc(CC)c1OC[C@@H](O)CC(O)C(N)=O
InChIInChI=1S/C26H35N3O5S/c1-6-16-9-19(10-17(7-2)23(16)33-13-20(30)12-21(31)24(27)32)25-28-26(34-29-25)22-11-18(8-14(3)4)15(5)35-22/h9-11,14,20-21,30-31H,6-8,12-13H2,1-5H3,(H2,27,32)/t20-,21?/m0/s1
InChIKeyNWFBTNIYNIVKQV-BGERDNNASA-N
XLogP4.07
TPSA131.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.65
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Related Compounds

(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-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-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-4-[5-(4-formyl-3-methylphenyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide
CID 140560913
3-[2-ethyl-6-methyl-4-[5-[5-methyl-4-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid
CID 59497878
(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-[2,6-dimethyl-4-[5-(6-methyl-2-propan-2-yloxypyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2,4-dihydroxypentanamide
CID 140553730
(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
(2S)-1-amino-3-[2-ethyl-4-[5-[6-ethyl-5-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propan-2-ol
CID 68765562
(4S)-5-[4-[5-[3-(butylaminomethyl)-5-propylphenyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxypentanamide
CID 140560922
3-[2-ethyl-4-[5-[5-ethyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol
CID 68762745

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCc1cc(-c2noc(-c3cc(CC(C)C)c(C)s3)n2)cc(CC)c1OC[C@@H](O)CC(O)C(N)=O.
What is the InChIKey of (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?
The InChIKey is NWFBTNIYNIVKQV-BGERDNNASA-N. The full InChI is InChI=1S/C26H35N3O5S/c1-6-16-9-19(10-17(7-2)23(16)33-13-20(30)12-21(31)24(27)32)25-28-26(34-29-25)22-11-18(8-14(3)4)15(5)35-22/h9-11,14,20-21,30-31H,6-8,12-13H2,1-5H3,(H2,27,32)/t20-,21?/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 501.65 g/mol, XLogP of 4.07, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 140553802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).