3-[5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide

C20H21N3O3 — CID 50779053

IUPAC3-[5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide
SMILESCOc1ccc(-c2nc(-c3cccc(C(=O)NC(C)C)c3)no2)c(C)c1
InChIInChI=1S/C20H21N3O3/c1-12(2)21-19(24)15-7-5-6-14(11-15)18-22-20(26-23-18)17-9-8-16(25-4)10-13(17)3/h5-12H,1-4H3,(H,21,24)
InChIKeyLRLIYIRZHBGDTC-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.86
Rot. Bonds5

About 3-[5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide

3-[5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide (PubChem CID 50779053) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide
PubChem CID50779053
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-[5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide
SMILESCOc1ccc(-c2nc(-c3cccc(C(=O)NC(C)C)c3)no2)c(C)c1
InChIInChI=1S/C20H21N3O3/c1-12(2)21-19(24)15-7-5-6-14(11-15)18-22-20(26-23-18)17-9-8-16(25-4)10-13(17)3/h5-12H,1-4H3,(H,21,24)
InChIKeyLRLIYIRZHBGDTC-UHFFFAOYSA-N
XLogP3.86
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide
CID 50778877
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide
CID 3267440
N-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3742791
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 44621438
N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973291
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
CID 3730602
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide
CID 17101518
methyl 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 6461496
3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 159299001
N-[(2S)-butan-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 92729267
N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide
CID 83288304
5-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2742649

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide (CID 50779053) is 3-[5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide is COc1ccc(-c2nc(-c3cccc(C(=O)NC(C)C)c3)no2)c(C)c1.
What is the InChIKey of 3-[5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide?
The InChIKey is LRLIYIRZHBGDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-12(2)21-19(24)15-7-5-6-14(11-15)18-22-20(26-23-18)17-9-8-16(25-4)10-13(17)3/h5-12H,1-4H3,(H,21,24).
What are the key properties of 3-[5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide?
3-[5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide has a molecular weight of 351.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 50779053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).