2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(1S)-1-pyridin-3-ylethyl]benzamide

C23H20N4O3 — CID 92903340

IUPAC2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(1S)-1-pyridin-3-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1OCc1nc(-c2ccccc2)no1)c1cccnc1
InChIInChI=1S/C23H20N4O3/c1-16(18-10-7-13-24-14-18)25-23(28)19-11-5-6-12-20(19)29-15-21-26-22(27-30-21)17-8-3-2-4-9-17/h2-14,16H,15H2,1H3,(H,25,28)/t16-/m0/s1
InChIKeyUUACBIASHDIZLH-INIZCTEOSA-N
MW400.44 g/mol
LogP4.20
Rot. Bonds7

About 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(1S)-1-pyridin-3-ylethyl]benzamide

2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(1S)-1-pyridin-3-ylethyl]benzamide (PubChem CID 92903340) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(1S)-1-pyridin-3-ylethyl]benzamide.

Molecular Properties

Compound Name2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(1S)-1-pyridin-3-ylethyl]benzamide
PubChem CID92903340
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(1S)-1-pyridin-3-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1OCc1nc(-c2ccccc2)no1)c1cccnc1
InChIInChI=1S/C23H20N4O3/c1-16(18-10-7-13-24-14-18)25-23(28)19-11-5-6-12-20(19)29-15-21-26-22(27-30-21)17-8-3-2-4-9-17/h2-14,16H,15H2,1H3,(H,25,28)/t16-/m0/s1
InChIKeyUUACBIASHDIZLH-INIZCTEOSA-N
XLogP4.20
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide
CID 24642203
N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25238417
2-phenoxy-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 9468013
N-(3,5-dimethoxyphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25237955
2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43419974
N-(3-methylbutyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 25238389
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 30028981
methyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetate
CID 91991140
N-(3,5-dimethylphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 25238106
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 20896118
N-cyclopentyl-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 44522161
N-(2-bromo-4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25238419

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(1S)-1-pyridin-3-ylethyl]benzamide?
The IUPAC name of 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(1S)-1-pyridin-3-ylethyl]benzamide (CID 92903340) is 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(1S)-1-pyridin-3-ylethyl]benzamide.
What is the SMILES notation for 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(1S)-1-pyridin-3-ylethyl]benzamide?
The canonical SMILES for 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(1S)-1-pyridin-3-ylethyl]benzamide is C[C@H](NC(=O)c1ccccc1OCc1nc(-c2ccccc2)no1)c1cccnc1.
What is the InChIKey of 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(1S)-1-pyridin-3-ylethyl]benzamide?
The InChIKey is UUACBIASHDIZLH-INIZCTEOSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-16(18-10-7-13-24-14-18)25-23(28)19-11-5-6-12-20(19)29-15-21-26-22(27-30-21)17-8-3-2-4-9-17/h2-14,16H,15H2,1H3,(H,25,28)/t16-/m0/s1.
What are the key properties of 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(1S)-1-pyridin-3-ylethyl]benzamide?
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(1S)-1-pyridin-3-ylethyl]benzamide has a molecular weight of 400.44 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-N-[(1S)-1-pyridin-3-ylethyl]benzamide is sourced from PubChem (CID 92903340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).