N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-morpholin-4-ylbutanamide

C23H26N4O3 — CID 90681043

IUPACN-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-morpholin-4-ylbutanamide
SMILESCc1ccc(-c2nnc(-c3cccc(NC(=O)CCCN4CCOCC4)c3)o2)cc1
InChIInChI=1S/C23H26N4O3/c1-17-7-9-18(10-8-17)22-25-26-23(30-22)19-4-2-5-20(16-19)24-21(28)6-3-11-27-12-14-29-15-13-27/h2,4-5,7-10,16H,3,6,11-15H2,1H3,(H,24,28)
InChIKeyPOXHUQFBZVFWBF-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.76
Rot. Bonds7

About N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-morpholin-4-ylbutanamide

N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-morpholin-4-ylbutanamide (PubChem CID 90681043) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-morpholin-4-ylbutanamide.

Molecular Properties

Compound NameN-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-morpholin-4-ylbutanamide
PubChem CID90681043
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-morpholin-4-ylbutanamide
SMILESCc1ccc(-c2nnc(-c3cccc(NC(=O)CCCN4CCOCC4)c3)o2)cc1
InChIInChI=1S/C23H26N4O3/c1-17-7-9-18(10-8-17)22-25-26-23(30-22)19-4-2-5-20(16-19)24-21(28)6-3-11-27-12-14-29-15-13-27/h2,4-5,7-10,16H,3,6,11-15H2,1H3,(H,24,28)
InChIKeyPOXHUQFBZVFWBF-UHFFFAOYSA-N
XLogP3.76
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 25093461
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 25093463
CID 78427023
CID 78427023
Piperazine, 1-phenyl-4-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)-
CID 3080234
N-{3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}acetamide
CID 1231059
2,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 4665154
N-{3-[5-(3-Propionylamino-phenyl)-[1,3,4]oxadiazol-2-yl]-phenyl}-propionamide
CID 1921194
2-[[3-Methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 15990242
1-{3-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-3-(3-[1,3,4]oxadiazol-2-yl-phenyl)-urea
CID 44289877
2',6-Dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-(4-morpholinyl)phenyl][1,1'-biphenyl]-3-carboxamide
CID 44580420
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide
CID 976675
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 1009404

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-morpholin-4-ylbutanamide?
The IUPAC name of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-morpholin-4-ylbutanamide (CID 90681043) is N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-morpholin-4-ylbutanamide.
What is the SMILES notation for N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-morpholin-4-ylbutanamide?
The canonical SMILES for N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-morpholin-4-ylbutanamide is Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCCN4CCOCC4)c3)o2)cc1.
What is the InChIKey of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-morpholin-4-ylbutanamide?
The InChIKey is POXHUQFBZVFWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-17-7-9-18(10-8-17)22-25-26-23(30-22)19-4-2-5-20(16-19)24-21(28)6-3-11-27-12-14-29-15-13-27/h2,4-5,7-10,16H,3,6,11-15H2,1H3,(H,24,28).
What are the key properties of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-morpholin-4-ylbutanamide?
N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-morpholin-4-ylbutanamide has a molecular weight of 406.49 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-morpholin-4-ylbutanamide is sourced from PubChem (CID 90681043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).