3-[3-(methylamino)-1-phenylpropoxy]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide

C26H26N4O3 — CID 138560027

IUPAC3-[3-(methylamino)-1-phenylpropoxy]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCNCCC(Oc1cccc(C(=O)Nc2cccc(-c3nnc(C)o3)c2)c1)c1ccccc1
InChIInChI=1S/C26H26N4O3/c1-18-29-30-26(32-18)21-11-6-12-22(16-21)28-25(31)20-10-7-13-23(17-20)33-24(14-15-27-2)19-8-4-3-5-9-19/h3-13,16-17,24,27H,14-15H2,1-2H3,(H,28,31)
InChIKeyCFDZEJQXBJPVTR-UHFFFAOYSA-N
MW442.52 g/mol
LogP5.03
Rot. Bonds9

About 3-[3-(methylamino)-1-phenylpropoxy]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide

3-[3-(methylamino)-1-phenylpropoxy]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 138560027) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-[3-(methylamino)-1-phenylpropoxy]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-[3-(methylamino)-1-phenylpropoxy]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID138560027
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name3-[3-(methylamino)-1-phenylpropoxy]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCNCCC(Oc1cccc(C(=O)Nc2cccc(-c3nnc(C)o3)c2)c1)c1ccccc1
InChIInChI=1S/C26H26N4O3/c1-18-29-30-26(32-18)21-11-6-12-22(16-21)28-25(31)20-10-7-13-23(17-20)33-24(14-15-27-2)19-8-4-3-5-9-19/h3-13,16-17,24,27H,14-15H2,1-2H3,(H,28,31)
InChIKeyCFDZEJQXBJPVTR-UHFFFAOYSA-N
XLogP5.03
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethoxy-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 110725637
[3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 3992027
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-phenoxypropanamide
CID 110725650
[4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 1105612
2-(3-methoxyphenyl)-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 110725688
N-(2,6-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 99817536
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45021441
2-methyl-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-enamide
CID 71999088
ethyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]carbamate
CID 45017389
3-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 17359640
N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-3-propan-2-yloxybenzamide
CID 29139232

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylamino)-1-phenylpropoxy]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of 3-[3-(methylamino)-1-phenylpropoxy]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 138560027) is 3-[3-(methylamino)-1-phenylpropoxy]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-[3-(methylamino)-1-phenylpropoxy]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 3-[3-(methylamino)-1-phenylpropoxy]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is CNCCC(Oc1cccc(C(=O)Nc2cccc(-c3nnc(C)o3)c2)c1)c1ccccc1.
What is the InChIKey of 3-[3-(methylamino)-1-phenylpropoxy]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is CFDZEJQXBJPVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-18-29-30-26(32-18)21-11-6-12-22(16-21)28-25(31)20-10-7-13-23(17-20)33-24(14-15-27-2)19-8-4-3-5-9-19/h3-13,16-17,24,27H,14-15H2,1-2H3,(H,28,31).
What are the key properties of 3-[3-(methylamino)-1-phenylpropoxy]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
3-[3-(methylamino)-1-phenylpropoxy]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 442.52 g/mol, XLogP of 5.03, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylamino)-1-phenylpropoxy]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 138560027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).