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

C24H21N3O3 — CID 20943882

IUPACN-(2-methylphenyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]propanamide
SMILESCc1ccccc1NC(=O)C(C)Oc1ccccc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C24H21N3O3/c1-16-10-6-8-14-20(16)25-22(28)17(2)29-21-15-9-7-13-19(21)24-27-26-23(30-24)18-11-4-3-5-12-18/h3-15,17H,1-2H3,(H,25,28)
InChIKeyXKUTUSVIPUVUEC-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.12
Rot. Bonds6

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

N-(2-methylphenyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]propanamide (PubChem CID 20943882) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]propanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]propanamide
PubChem CID20943882
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-(2-methylphenyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]propanamide
SMILESCc1ccccc1NC(=O)C(C)Oc1ccccc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C24H21N3O3/c1-16-10-6-8-14-20(16)25-22(28)17(2)29-21-15-9-7-13-19(21)24-27-26-23(30-24)18-11-4-3-5-12-18/h3-15,17H,1-2H3,(H,25,28)
InChIKeyXKUTUSVIPUVUEC-UHFFFAOYSA-N
XLogP5.12
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]butanamide
CID 20943891
N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenoxypropanamide
CID 5297605
N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390932
(2S)-2-(2,5-dimethylphenoxy)-N-(2-phenylphenyl)propanamide
CID 40866622
(2R)-2-(2-methylphenoxy)-N-(2-phenoxyphenyl)propanamide
CID 30392256
(2S)-2-(2-formylphenoxy)-N-(2-phenylphenyl)propanamide
CID 7762821
2-(4-methoxyphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 17171857
(2R)-2-(4-fluorophenoxy)-N-(2-methylphenyl)propanamide
CID 7946714
(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303
(2R)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866676
(2S)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866674
(2R)-2-(4-acetylphenoxy)-N-(2-methylphenyl)propanamide
CID 2621439

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
The IUPAC name of N-(2-methylphenyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]propanamide (CID 20943882) is N-(2-methylphenyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]propanamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
The canonical SMILES for N-(2-methylphenyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]propanamide is Cc1ccccc1NC(=O)C(C)Oc1ccccc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of N-(2-methylphenyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
The InChIKey is XKUTUSVIPUVUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-10-6-8-14-20(16)25-22(28)17(2)29-21-15-9-7-13-19(21)24-27-26-23(30-24)18-11-4-3-5-12-18/h3-15,17H,1-2H3,(H,25,28).
What are the key properties of N-(2-methylphenyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
N-(2-methylphenyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]propanamide has a molecular weight of 399.45 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]propanamide is sourced from PubChem (CID 20943882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).