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

C27H34N4O6 — CID 127046550

IUPACN-[(2S)-3-[4-[5-(5-cyclopentyl-6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
SMILESCCc1cc(-c2noc(-c3cnc(OC)c(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO
InChIInChI=1S/C27H34N4O6/c1-4-17-10-19(9-16(2)24(17)36-15-21(33)13-28-23(34)14-32)25-30-26(37-31-25)20-11-22(18-7-5-6-8-18)27(35-3)29-12-20/h9-12,18,21,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t21-/m0/s1
InChIKeyRSDGUDXZOFYEMH-NRFANRHFSA-N
MW510.59 g/mol
LogP3.18
Rot. Bonds11

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

N-[(2S)-3-[4-[5-(5-cyclopentyl-6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (PubChem CID 127046550) 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-6-methoxy-3-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-6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
PubChem CID127046550
Molecular FormulaC27H34N4O6
Molecular Weight510.59 g/mol
Exact Mass510.25
IUPAC NameN-[(2S)-3-[4-[5-(5-cyclopentyl-6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
SMILESCCc1cc(-c2noc(-c3cnc(OC)c(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO
InChIInChI=1S/C27H34N4O6/c1-4-17-10-19(9-16(2)24(17)36-15-21(33)13-28-23(34)14-32)25-30-26(37-31-25)20-11-22(18-7-5-6-8-18)27(35-3)29-12-20/h9-12,18,21,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t21-/m0/s1
InChIKeyRSDGUDXZOFYEMH-NRFANRHFSA-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-6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-[4-[5-(5-cyclopentyl-6-methoxy-3-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-6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (CID 127046550) is N-[(2S)-3-[4-[5-(5-cyclopentyl-6-methoxy-3-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-6-methoxy-3-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-6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is CCc1cc(-c2noc(-c3cnc(OC)c(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO.
What is the InChIKey of N-[(2S)-3-[4-[5-(5-cyclopentyl-6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
The InChIKey is RSDGUDXZOFYEMH-NRFANRHFSA-N. The full InChI is InChI=1S/C27H34N4O6/c1-4-17-10-19(9-16(2)24(17)36-15-21(33)13-28-23(34)14-32)25-30-26(37-31-25)20-11-22(18-7-5-6-8-18)27(35-3)29-12-20/h9-12,18,21,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t21-/m0/s1.
What are the key properties of N-[(2S)-3-[4-[5-(5-cyclopentyl-6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
N-[(2S)-3-[4-[5-(5-cyclopentyl-6-methoxy-3-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-6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is sourced from PubChem (CID 127046550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).