N-cyclohexyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

C17H21N3O2 — CID 2006214

IUPACN-cyclohexyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)NC1CCCCC1
InChIInChI=1S/C17H21N3O2/c21-15(18-14-9-5-2-6-10-14)11-12-16-19-17(20-22-16)13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,18,21)
InChIKeyHTGXBTONQWPUAS-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.12
Rot. Bonds5

About N-cyclohexyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

N-cyclohexyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 2006214) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-cyclohexyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID2006214
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-cyclohexyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)NC1CCCCC1
InChIInChI=1S/C17H21N3O2/c21-15(18-14-9-5-2-6-10-14)11-12-16-19-17(20-22-16)13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,18,21)
InChIKeyHTGXBTONQWPUAS-UHFFFAOYSA-N
XLogP3.12
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-cyclohexyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (CID 2006214) is N-cyclohexyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-cyclohexyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccccc2)no1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is HTGXBTONQWPUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-15(18-14-9-5-2-6-10-14)11-12-16-19-17(20-22-16)13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,18,21).
What are the key properties of N-cyclohexyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
N-cyclohexyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 299.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 2006214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).