(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

C23H28ClN3O5S — CID 140553819

IUPAC(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
SMILESCc1cc(-c2noc(-c3cc(CC(C)C)c(C)s3)n2)cc(Cl)c1OC[C@H](O)CC(O)C(N)=O
InChIInChI=1S/C23H28ClN3O5S/c1-11(2)5-14-8-19(33-13(14)4)23-26-22(27-32-23)15-6-12(3)20(17(24)7-15)31-10-16(28)9-18(29)21(25)30/h6-8,11,16,18,28-29H,5,9-10H2,1-4H3,(H2,25,30)/t16-,18?/m1/s1
InChIKeyXEZFVKWZYMWSFY-PYUWXLGESA-N
MW494.01 g/mol
LogP3.91
Rot. Bonds10

About (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

(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 (PubChem CID 140553819) has the molecular formula C23H28ClN3O5S and a molecular weight of 494.01 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID140553819
Molecular FormulaC23H28ClN3O5S
Molecular Weight494.01 g/mol
Exact Mass493.14
IUPAC Name(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
SMILESCc1cc(-c2noc(-c3cc(CC(C)C)c(C)s3)n2)cc(Cl)c1OC[C@H](O)CC(O)C(N)=O
InChIInChI=1S/C23H28ClN3O5S/c1-11(2)5-14-8-19(33-13(14)4)23-26-22(27-32-23)15-6-12(3)20(17(24)7-15)31-10-16(28)9-18(29)21(25)30/h6-8,11,16,18,28-29H,5,9-10H2,1-4H3,(H2,25,30)/t16-,18?/m1/s1
InChIKeyXEZFVKWZYMWSFY-PYUWXLGESA-N
XLogP3.91
TPSA131.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.01
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(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-[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
(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
1-amino-3-[2,6-dimethyl-4-[5-[5-methyl-4-(2-methylpropyl)thiophen-2-yl]-1,3,4-oxadiazol-2-yl]phenoxy]propan-2-ol
CID 59497945
(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-[4-[5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxypentanamide
CID 140553737
N-[(2R)-3-[2-chloro-6-methyl-4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 68763012
(2S)-3-[2-chloro-4-[5-[5-(diethylaminomethyl)-4-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol
CID 66829288
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
N-[(2R)-3-[2,6-dimethyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 24784421

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc(-c2noc(-c3cc(CC(C)C)c(C)s3)n2)cc(Cl)c1OC[C@H](O)CC(O)C(N)=O.
What is the InChIKey of (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?
The InChIKey is XEZFVKWZYMWSFY-PYUWXLGESA-N. The full InChI is InChI=1S/C23H28ClN3O5S/c1-11(2)5-14-8-19(33-13(14)4)23-26-22(27-32-23)15-6-12(3)20(17(24)7-15)31-10-16(28)9-18(29)21(25)30/h6-8,11,16,18,28-29H,5,9-10H2,1-4H3,(H2,25,30)/t16-,18?/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 494.01 g/mol, XLogP of 3.91, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 140553819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).