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

C19H18ClN3O2 — CID 665490

IUPACN-tert-butyl-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1-c1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C19H18ClN3O2/c1-19(2,3)22-17(24)12-8-4-5-9-13(12)18-21-16(23-25-18)14-10-6-7-11-15(14)20/h4-11H,1-3H3,(H,22,24)
InChIKeySRQSCSZJKDFDKA-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.59
Rot. Bonds3

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

N-tert-butyl-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide (PubChem CID 665490) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-tert-butyl-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
PubChem CID665490
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-tert-butyl-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1-c1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C19H18ClN3O2/c1-19(2,3)22-17(24)12-8-4-5-9-13(12)18-21-16(23-25-18)14-10-6-7-11-15(14)20/h4-11H,1-3H3,(H,22,24)
InChIKeySRQSCSZJKDFDKA-UHFFFAOYSA-N
XLogP4.59
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The IUPAC name of N-tert-butyl-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide (CID 665490) is N-tert-butyl-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide.
What is the SMILES notation for N-tert-butyl-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The canonical SMILES for N-tert-butyl-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide is CC(C)(C)NC(=O)c1ccccc1-c1nc(-c2ccccc2Cl)no1.
What is the InChIKey of N-tert-butyl-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The InChIKey is SRQSCSZJKDFDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-19(2,3)22-17(24)12-8-4-5-9-13(12)18-21-16(23-25-18)14-10-6-7-11-15(14)20/h4-11H,1-3H3,(H,22,24).
What are the key properties of N-tert-butyl-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide?
N-tert-butyl-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide has a molecular weight of 355.83 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzamide is sourced from PubChem (CID 665490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).