N-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide

C22H19N3O2 — CID 100761406

IUPACN-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1ccccc1NC(=O)CCc1nc(-c2cccc3ccccc23)no1
InChIInChI=1S/C22H19N3O2/c1-15-7-2-5-12-19(15)23-20(26)13-14-21-24-22(25-27-21)18-11-6-9-16-8-3-4-10-17(16)18/h2-12H,13-14H2,1H3,(H,23,26)
InChIKeyDKRSGVDVHMLWGC-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.77
Rot. Bonds5

About N-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 100761406) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID100761406
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1ccccc1NC(=O)CCc1nc(-c2cccc3ccccc23)no1
InChIInChI=1S/C22H19N3O2/c1-15-7-2-5-12-19(15)23-20(26)13-14-21-24-22(25-27-21)18-11-6-9-16-8-3-4-10-17(16)18/h2-12H,13-14H2,1H3,(H,23,26)
InChIKeyDKRSGVDVHMLWGC-UHFFFAOYSA-N
XLogP4.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761441
N-(2-ethylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758721
N-(5-chloro-2-methylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758765
N-[(2S)-butan-2-yl]-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761242
N-benzhydryl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100762045
N-[(2-methoxyphenyl)methyl]-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761955
3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(4-phenylbutan-2-yl)propanamide
CID 133244418
N-cycloheptyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761277
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpropanamide
CID 100760326
3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 133209775
1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 63344511
N-(2-ethoxyphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2023323

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 100761406) is N-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide is Cc1ccccc1NC(=O)CCc1nc(-c2cccc3ccccc23)no1.
What is the InChIKey of N-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is DKRSGVDVHMLWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-15-7-2-5-12-19(15)23-20(26)13-14-21-24-22(25-27-21)18-11-6-9-16-8-3-4-10-17(16)18/h2-12H,13-14H2,1H3,(H,23,26).
What are the key properties of N-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 357.41 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 100761406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).