2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide

C20H18ClN3O3 — CID 2973134

IUPAC2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C20H18ClN3O3/c21-14-9-7-13(8-10-14)18-23-20(27-24-18)17-6-2-1-5-16(17)19(25)22-12-15-4-3-11-26-15/h1-2,5-10,15H,3-4,11-12H2,(H,22,25)
InChIKeyIYKWVASPRLECBC-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.97
Rot. Bonds5

About 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide

2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2973134) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2973134
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C20H18ClN3O3/c21-14-9-7-13(8-10-14)18-23-20(27-24-18)17-6-2-1-5-16(17)19(25)22-12-15-4-3-11-26-15/h1-2,5-10,15H,3-4,11-12H2,(H,22,25)
InChIKeyIYKWVASPRLECBC-UHFFFAOYSA-N
XLogP3.97
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide (CID 2973134) is 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is IYKWVASPRLECBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c21-14-9-7-13(8-10-14)18-23-20(27-24-18)17-6-2-1-5-16(17)19(25)22-12-15-4-3-11-26-15/h1-2,5-10,15H,3-4,11-12H2,(H,22,25).
What are the key properties of 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide?
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 383.84 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2973134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).