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

C20H20ClN3O3 — CID 2985607

IUPAC2-chloro-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
SMILESCOc1ccc(-c2noc(CN(C(=O)c3ccccc3Cl)C(C)C)n2)cc1
InChIInChI=1S/C20H20ClN3O3/c1-13(2)24(20(25)16-6-4-5-7-17(16)21)12-18-22-19(23-27-18)14-8-10-15(26-3)11-9-14/h4-11,13H,12H2,1-3H3
InChIKeyOPQVOXACZXSIFY-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.45
Rot. Bonds6

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

2-chloro-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide (PubChem CID 2985607) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-chloro-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
PubChem CID2985607
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name2-chloro-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
SMILESCOc1ccc(-c2noc(CN(C(=O)c3ccccc3Cl)C(C)C)n2)cc1
InChIInChI=1S/C20H20ClN3O3/c1-13(2)24(20(25)16-6-4-5-7-17(16)21)12-18-22-19(23-27-18)14-8-10-15(26-3)11-9-14/h4-11,13H,12H2,1-3H3
InChIKeyOPQVOXACZXSIFY-UHFFFAOYSA-N
XLogP4.45
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 2-chloro-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide (CID 2985607) is 2-chloro-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-chloro-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-chloro-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide is COc1ccc(-c2noc(CN(C(=O)c3ccccc3Cl)C(C)C)n2)cc1.
What is the InChIKey of 2-chloro-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide?
The InChIKey is OPQVOXACZXSIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-13(2)24(20(25)16-6-4-5-7-17(16)21)12-18-22-19(23-27-18)14-8-10-15(26-3)11-9-14/h4-11,13H,12H2,1-3H3.
What are the key properties of 2-chloro-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide?
2-chloro-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide has a molecular weight of 385.85 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 2985607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).