N-[(2S)-3-[4-[5-(5-cyclopentyl-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

C27H34N4O6 — CID 127047083

IUPACN-[(2S)-3-[4-[5-(5-cyclopentyl-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
SMILESCCc1cc(-c2noc(-c3cc(OC)c(C4CCCC4)cn3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO
InChIInChI=1S/C27H34N4O6/c1-4-17-10-19(9-16(2)25(17)36-15-20(33)12-29-24(34)14-32)26-30-27(37-31-26)22-11-23(35-3)21(13-28-22)18-7-5-6-8-18/h9-11,13,18,20,32-33H,4-8,12,14-15H2,1-3H3,(H,29,34)/t20-/m0/s1
InChIKeyGIEVGCMVIDYUEW-FQEVSTJZSA-N
MW510.59 g/mol
LogP3.18
Rot. Bonds11

About N-[(2S)-3-[4-[5-(5-cyclopentyl-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

N-[(2S)-3-[4-[5-(5-cyclopentyl-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (PubChem CID 127047083) has the molecular formula C27H34N4O6 and a molecular weight of 510.59 g/mol. Its IUPAC name is N-[(2S)-3-[4-[5-(5-cyclopentyl-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[(2S)-3-[4-[5-(5-cyclopentyl-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
PubChem CID127047083
Molecular FormulaC27H34N4O6
Molecular Weight510.59 g/mol
Exact Mass510.25
IUPAC NameN-[(2S)-3-[4-[5-(5-cyclopentyl-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
SMILESCCc1cc(-c2noc(-c3cc(OC)c(C4CCCC4)cn3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO
InChIInChI=1S/C27H34N4O6/c1-4-17-10-19(9-16(2)25(17)36-15-20(33)12-29-24(34)14-32)26-30-27(37-31-26)22-11-23(35-3)21(13-28-22)18-7-5-6-8-18/h9-11,13,18,20,32-33H,4-8,12,14-15H2,1-3H3,(H,29,34)/t20-/m0/s1
InChIKeyGIEVGCMVIDYUEW-FQEVSTJZSA-N
XLogP3.18
TPSA139.83 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.59
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(2S)-3-[4-[5-(5-cyclopentyl-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide with MolForge

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Related Compounds

Cenerimod
CID 49871973
US9617250, Example 1 Example 204 of D1
CID 25031140
N-[(2S)-3-[4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 76325522
N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[2-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 76325532
N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[2-(3-methylbutyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 86299710
US9617250, Example 57 of D1
CID 25031771
US9617250, Example 101 of D1
CID 25032056
(S)-N-(3-(4-(5-(2-(Diethylamino)-6-methylpyridin-4-yl)-1,2,4-oxadiazol-3-yl)-2-ethyl-6-methylphenoxy)-2-hydroxypropyl)-2-hydroxyacetamide
CID 25074253
N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[4-methyl-6-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 44199424
N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 44218002
N-[(2S)-3-[4-[5-[6-(diethylamino)-5-ethyl-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 44218604
N-[(2S)-3-(2-Ethyl-4-{5-[2-(1-ethyl-propyl)-6-methoxy-pyridin-4-yl]-[1,2,4]oxadiazol-3-yl}-6-methyl-phenoxy)-2-hydroxy-propyl]-2-hydroxy-acetamide
CID 49871977

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-[4-[5-(5-cyclopentyl-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
The IUPAC name of N-[(2S)-3-[4-[5-(5-cyclopentyl-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (CID 127047083) is N-[(2S)-3-[4-[5-(5-cyclopentyl-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[(2S)-3-[4-[5-(5-cyclopentyl-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
The canonical SMILES for N-[(2S)-3-[4-[5-(5-cyclopentyl-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is CCc1cc(-c2noc(-c3cc(OC)c(C4CCCC4)cn3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO.
What is the InChIKey of N-[(2S)-3-[4-[5-(5-cyclopentyl-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
The InChIKey is GIEVGCMVIDYUEW-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H34N4O6/c1-4-17-10-19(9-16(2)25(17)36-15-20(33)12-29-24(34)14-32)26-30-27(37-31-26)22-11-23(35-3)21(13-28-22)18-7-5-6-8-18/h9-11,13,18,20,32-33H,4-8,12,14-15H2,1-3H3,(H,29,34)/t20-/m0/s1.
What are the key properties of N-[(2S)-3-[4-[5-(5-cyclopentyl-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
N-[(2S)-3-[4-[5-(5-cyclopentyl-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide has a molecular weight of 510.59 g/mol, XLogP of 3.18, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-[4-[5-(5-cyclopentyl-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is sourced from PubChem (CID 127047083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).