4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropylamino]methyl]benzamide

C20H19ClN4O2 — CID 46568053

IUPAC4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropylamino]methyl]benzamide
SMILESNC(=O)c1ccc(CN(Cc2nc(-c3ccc(Cl)cc3)no2)C2CC2)cc1
InChIInChI=1S/C20H19ClN4O2/c21-16-7-5-15(6-8-16)20-23-18(27-24-20)12-25(17-9-10-17)11-13-1-3-14(4-2-13)19(22)26/h1-8,17H,9-12H2,(H2,22,26)
InChIKeyHEPPDBSKSAQEHK-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.65
Rot. Bonds7

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

4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropylamino]methyl]benzamide (PubChem CID 46568053) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropylamino]methyl]benzamide
PubChem CID46568053
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropylamino]methyl]benzamide
SMILESNC(=O)c1ccc(CN(Cc2nc(-c3ccc(Cl)cc3)no2)C2CC2)cc1
InChIInChI=1S/C20H19ClN4O2/c21-16-7-5-15(6-8-16)20-23-18(27-24-20)12-25(17-9-10-17)11-13-1-3-14(4-2-13)19(22)26/h1-8,17H,9-12H2,(H2,22,26)
InChIKeyHEPPDBSKSAQEHK-UHFFFAOYSA-N
XLogP3.65
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 78899478
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropylamino]propanoic acid
CID 122083039
2-[[(4-chlorophenyl)methyl-cyclopropylamino]methyl]-1,3-oxazole-4-carboxylic acid
CID 42798819
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone
CID 63346525
3-[benzyl-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide
CID 34911157
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-(4-methylphenyl)acetamide
CID 8874831
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclohexyl-3,5-dimethylbenzamide
CID 8875279
3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119912219
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylacetamide
CID 6485217
N-benzyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
CID 83288981
3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid
CID 60840216
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 83289864

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropylamino]methyl]benzamide?
The IUPAC name of 4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropylamino]methyl]benzamide (CID 46568053) is 4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropylamino]methyl]benzamide.
What is the SMILES notation for 4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropylamino]methyl]benzamide?
The canonical SMILES for 4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropylamino]methyl]benzamide is NC(=O)c1ccc(CN(Cc2nc(-c3ccc(Cl)cc3)no2)C2CC2)cc1.
What is the InChIKey of 4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropylamino]methyl]benzamide?
The InChIKey is HEPPDBSKSAQEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c21-16-7-5-15(6-8-16)20-23-18(27-24-20)12-25(17-9-10-17)11-13-1-3-14(4-2-13)19(22)26/h1-8,17H,9-12H2,(H2,22,26).
What are the key properties of 4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropylamino]methyl]benzamide?
4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropylamino]methyl]benzamide has a molecular weight of 382.85 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropylamino]methyl]benzamide is sourced from PubChem (CID 46568053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).