N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-3-phenylpropanamide

C20H25N3O2 — CID 71792036

IUPACN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1(c2nc(C3CC3)no2)CCCCC1
InChIInChI=1S/C20H25N3O2/c24-17(12-9-15-7-3-1-4-8-15)22-20(13-5-2-6-14-20)19-21-18(23-25-19)16-10-11-16/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,22,24)
InChIKeyILAVDNBNSCNGBV-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.86
Rot. Bonds6

About N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-3-phenylpropanamide

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-3-phenylpropanamide (PubChem CID 71792036) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-3-phenylpropanamide
PubChem CID71792036
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1(c2nc(C3CC3)no2)CCCCC1
InChIInChI=1S/C20H25N3O2/c24-17(12-9-15-7-3-1-4-8-15)22-20(13-5-2-6-14-20)19-21-18(23-25-19)16-10-11-16/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,22,24)
InChIKeyILAVDNBNSCNGBV-UHFFFAOYSA-N
XLogP3.86
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-3-phenylpropanamide?
The IUPAC name of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-3-phenylpropanamide (CID 71792036) is N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-3-phenylpropanamide?
The canonical SMILES for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NC1(c2nc(C3CC3)no2)CCCCC1.
What is the InChIKey of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-3-phenylpropanamide?
The InChIKey is ILAVDNBNSCNGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-17(12-9-15-7-3-1-4-8-15)22-20(13-5-2-6-14-20)19-21-18(23-25-19)16-10-11-16/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,22,24).
What are the key properties of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-3-phenylpropanamide?
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-3-phenylpropanamide has a molecular weight of 339.44 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-3-phenylpropanamide is sourced from PubChem (CID 71792036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).