N-[(1S)-2-hydroxy-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide

C23H26N4O5 — CID 122581623

IUPACN-[(1S)-2-hydroxy-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESO=C(N[C@@H](CO)c1nc(-c2ccc(OCCN3CCOCC3)cc2)no1)c1ccccc1
InChIInChI=1S/C23H26N4O5/c28-16-20(24-22(29)18-4-2-1-3-5-18)23-25-21(26-32-23)17-6-8-19(9-7-17)31-15-12-27-10-13-30-14-11-27/h1-9,20,28H,10-16H2,(H,24,29)/t20-/m0/s1
InChIKeyAJWCNFDTYWZWIU-FQEVSTJZSA-N
MW438.48 g/mol
LogP1.91
Rot. Bonds9

About N-[(1S)-2-hydroxy-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide

N-[(1S)-2-hydroxy-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 122581623) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID122581623
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC NameN-[(1S)-2-hydroxy-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESO=C(N[C@@H](CO)c1nc(-c2ccc(OCCN3CCOCC3)cc2)no1)c1ccccc1
InChIInChI=1S/C23H26N4O5/c28-16-20(24-22(29)18-4-2-1-3-5-18)23-25-21(26-32-23)17-6-8-19(9-7-17)31-15-12-27-10-13-30-14-11-27/h1-9,20,28H,10-16H2,(H,24,29)/t20-/m0/s1
InChIKeyAJWCNFDTYWZWIU-FQEVSTJZSA-N
XLogP1.91
TPSA109.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(1S)-1-[3-(4-acetylphenyl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide
CID 122581632
N-[(1S)-1-[3-[4-(fluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide
CID 122581601
3-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 22343239
4-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 134205298
3-fluoro-N-[(1S)-2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 122581882
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101424
N-[(Z)-1-[4-(2-morpholin-4-ylethoxy)phenyl]propylideneamino]benzamide
CID 5455254
N-[(1S)-1-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-4-fluorobenzamide
CID 134228377
N-[1-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 20934008
1-morpholin-4-yl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 46266743
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
N-(2-morpholin-4-ylethoxy)benzamide
CID 110642751

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 122581623) is N-[(1S)-2-hydroxy-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide is O=C(N[C@@H](CO)c1nc(-c2ccc(OCCN3CCOCC3)cc2)no1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is AJWCNFDTYWZWIU-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H26N4O5/c28-16-20(24-22(29)18-4-2-1-3-5-18)23-25-21(26-32-23)17-6-8-19(9-7-17)31-15-12-27-10-13-30-14-11-27/h1-9,20,28H,10-16H2,(H,24,29)/t20-/m0/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
N-[(1S)-2-hydroxy-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 438.48 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 122581623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).