2-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide

C17H20ClN3O2 — CID 53181991

IUPAC2-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide
SMILESCCc1noc(C2(NC(=O)c3ccccc3Cl)CCCCC2)n1
InChIInChI=1S/C17H20ClN3O2/c1-2-14-19-16(23-21-14)17(10-6-3-7-11-17)20-15(22)12-8-4-5-9-13(12)18/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,20,22)
InChIKeySMUAZBRLGZKIDM-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.87
Rot. Bonds4

About 2-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide

2-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide (PubChem CID 53181991) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide
PubChem CID53181991
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name2-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide
SMILESCCc1noc(C2(NC(=O)c3ccccc3Cl)CCCCC2)n1
InChIInChI=1S/C17H20ClN3O2/c1-2-14-19-16(23-21-14)17(10-6-3-7-11-17)20-15(22)12-8-4-5-9-13(12)18/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,20,22)
InChIKeySMUAZBRLGZKIDM-UHFFFAOYSA-N
XLogP3.87
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide?
The IUPAC name of 2-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide (CID 53181991) is 2-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide is CCc1noc(C2(NC(=O)c3ccccc3Cl)CCCCC2)n1.
What is the InChIKey of 2-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide?
The InChIKey is SMUAZBRLGZKIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-2-14-19-16(23-21-14)17(10-6-3-7-11-17)20-15(22)12-8-4-5-9-13(12)18/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,20,22).
What are the key properties of 2-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide?
2-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide has a molecular weight of 333.82 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide is sourced from PubChem (CID 53181991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).