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

C21H23N3O3 — CID 2226351

IUPAC3-methoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
SMILESCOc1cccc(C(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)c1
InChIInChI=1S/C21H23N3O3/c1-14(2)24(21(25)17-6-5-7-18(12-17)26-4)13-19-22-20(23-27-19)16-10-8-15(3)9-11-16/h5-12,14H,13H2,1-4H3
InChIKeyBCJSXRZNKYRRLS-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.10
Rot. Bonds6

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

3-methoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide (PubChem CID 2226351) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-methoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-methoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
PubChem CID2226351
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-methoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
SMILESCOc1cccc(C(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)c1
InChIInChI=1S/C21H23N3O3/c1-14(2)24(21(25)17-6-5-7-18(12-17)26-4)13-19-22-20(23-27-19)16-10-8-15(3)9-11-16/h5-12,14H,13H2,1-4H3
InChIKeyBCJSXRZNKYRRLS-UHFFFAOYSA-N
XLogP4.10
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-methoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide (CID 2226351) is 3-methoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-methoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-methoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide is COc1cccc(C(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)c1.
What is the InChIKey of 3-methoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide?
The InChIKey is BCJSXRZNKYRRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14(2)24(21(25)17-6-5-7-18(12-17)26-4)13-19-22-20(23-27-19)16-10-8-15(3)9-11-16/h5-12,14H,13H2,1-4H3.
What are the key properties of 3-methoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide?
3-methoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide has a molecular weight of 365.43 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 2226351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).