N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbenzamide

C17H14ClN3O2 — CID 2985628

IUPACN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C17H14ClN3O2/c1-11-4-2-3-5-14(11)17(22)19-10-15-20-16(21-23-15)12-6-8-13(18)9-7-12/h2-9H,10H2,1H3,(H,19,22)
InChIKeyDQCDEQYXYHBOJD-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.63
Rot. Bonds4

About N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbenzamide

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbenzamide (PubChem CID 2985628) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbenzamide
PubChem CID2985628
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C17H14ClN3O2/c1-11-4-2-3-5-14(11)17(22)19-10-15-20-16(21-23-15)12-6-8-13(18)9-7-12/h2-9H,10H2,1H3,(H,19,22)
InChIKeyDQCDEQYXYHBOJD-UHFFFAOYSA-N
XLogP3.63
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbenzamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbenzamide (CID 2985628) is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbenzamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbenzamide?
The InChIKey is DQCDEQYXYHBOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-11-4-2-3-5-14(11)17(22)19-10-15-20-16(21-23-15)12-6-8-13(18)9-7-12/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbenzamide?
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbenzamide has a molecular weight of 327.77 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylbenzamide is sourced from PubChem (CID 2985628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).