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

C22H24N4O2 — CID 53181974

IUPAC3-phenyl-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]propanamide
SMILESO=C(CCc1ccccc1)NC1(c2nc(-c3ccncc3)no2)CCCCC1
InChIInChI=1S/C22H24N4O2/c27-19(10-9-17-7-3-1-4-8-17)25-22(13-5-2-6-14-22)21-24-20(26-28-21)18-11-15-23-16-12-18/h1,3-4,7-8,11-12,15-16H,2,5-6,9-10,13-14H2,(H,25,27)
InChIKeyLPRNZGURCFVHAO-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.04
Rot. Bonds6

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

3-phenyl-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]propanamide (PubChem CID 53181974) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-phenyl-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]propanamide
PubChem CID53181974
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-phenyl-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]propanamide
SMILESO=C(CCc1ccccc1)NC1(c2nc(-c3ccncc3)no2)CCCCC1
InChIInChI=1S/C22H24N4O2/c27-19(10-9-17-7-3-1-4-8-17)25-22(13-5-2-6-14-22)21-24-20(26-28-21)18-11-15-23-16-12-18/h1,3-4,7-8,11-12,15-16H,2,5-6,9-10,13-14H2,(H,25,27)
InChIKeyLPRNZGURCFVHAO-UHFFFAOYSA-N
XLogP4.04
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]propanamide?
The IUPAC name of 3-phenyl-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]propanamide (CID 53181974) is 3-phenyl-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]propanamide?
The canonical SMILES for 3-phenyl-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]propanamide is O=C(CCc1ccccc1)NC1(c2nc(-c3ccncc3)no2)CCCCC1.
What is the InChIKey of 3-phenyl-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]propanamide?
The InChIKey is LPRNZGURCFVHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-19(10-9-17-7-3-1-4-8-17)25-22(13-5-2-6-14-22)21-24-20(26-28-21)18-11-15-23-16-12-18/h1,3-4,7-8,11-12,15-16H,2,5-6,9-10,13-14H2,(H,25,27).
What are the key properties of 3-phenyl-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]propanamide?
3-phenyl-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]propanamide has a molecular weight of 376.46 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]propanamide is sourced from PubChem (CID 53181974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).