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

C18H23N3O2 — CID 3159557

IUPACN-cyclohexyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccccc1-c1noc(CCC(=O)NC2CCCCC2)n1
InChIInChI=1S/C18H23N3O2/c1-13-7-5-6-10-15(13)18-20-17(23-21-18)12-11-16(22)19-14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11-12H2,1H3,(H,19,22)
InChIKeyQLBGMJGEZRHHID-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.43
Rot. Bonds5

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

N-cyclohexyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 3159557) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-cyclohexyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID3159557
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-cyclohexyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccccc1-c1noc(CCC(=O)NC2CCCCC2)n1
InChIInChI=1S/C18H23N3O2/c1-13-7-5-6-10-15(13)18-20-17(23-21-18)12-11-16(22)19-14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11-12H2,1H3,(H,19,22)
InChIKeyQLBGMJGEZRHHID-UHFFFAOYSA-N
XLogP3.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.43
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-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-cyclohexyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 3159557) is N-cyclohexyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is Cc1ccccc1-c1noc(CCC(=O)NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is QLBGMJGEZRHHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-7-5-6-10-15(13)18-20-17(23-21-18)12-11-16(22)19-14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11-12H2,1H3,(H,19,22).
What are the key properties of N-cyclohexyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-cyclohexyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 313.40 g/mol, XLogP of 3.43, 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-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 3159557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).