N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-propyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

C25H32N4O5 — CID 25032056

IUPACN-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-propyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
SMILESCCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C)n1
InChIInChI=1S/C25H32N4O5/c1-5-7-20-11-19(9-16(4)27-20)25-28-24(29-34-25)18-8-15(3)23(17(6-2)10-18)33-14-21(31)12-26-22(32)13-30/h8-11,21,30-31H,5-7,12-14H2,1-4H3,(H,26,32)/t21-/m0/s1
InChIKeyCBQUMBQBJNWZKK-NRFANRHFSA-N
MW468.55 g/mol
LogP2.78
Rot. Bonds11

About N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-propyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-propyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (PubChem CID 25032056) has the molecular formula C25H32N4O5 and a molecular weight of 468.55 g/mol. Its IUPAC name is N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-propyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-propyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
PubChem CID25032056
Molecular FormulaC25H32N4O5
Molecular Weight468.55 g/mol
Exact Mass468.24
IUPAC NameN-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-propyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
SMILESCCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C)n1
InChIInChI=1S/C25H32N4O5/c1-5-7-20-11-19(9-16(4)27-20)25-28-24(29-34-25)18-8-15(3)23(17(6-2)10-18)33-14-21(31)12-26-22(32)13-30/h8-11,21,30-31H,5-7,12-14H2,1-4H3,(H,26,32)/t21-/m0/s1
InChIKeyCBQUMBQBJNWZKK-NRFANRHFSA-N
XLogP2.78
TPSA130.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-propyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
The IUPAC name of N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-propyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (CID 25032056) is N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-propyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-propyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
The canonical SMILES for N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-propyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is CCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C)n1.
What is the InChIKey of N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-propyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
The InChIKey is CBQUMBQBJNWZKK-NRFANRHFSA-N. The full InChI is InChI=1S/C25H32N4O5/c1-5-7-20-11-19(9-16(4)27-20)25-28-24(29-34-25)18-8-15(3)23(17(6-2)10-18)33-14-21(31)12-26-22(32)13-30/h8-11,21,30-31H,5-7,12-14H2,1-4H3,(H,26,32)/t21-/m0/s1.
What are the key properties of N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-propyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-propyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide has a molecular weight of 468.55 g/mol, XLogP of 2.78, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-propyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is sourced from PubChem (CID 25032056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).