N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-4-methylbenzamide

C23H25N3O3 — CID 53182024

IUPACN-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-4-methylbenzamide
SMILESCOc1ccc(-c2noc(C3(NC(=O)c4ccc(C)cc4)CCCCC3)n2)cc1
InChIInChI=1S/C23H25N3O3/c1-16-6-8-18(9-7-16)21(27)25-23(14-4-3-5-15-23)22-24-20(26-29-22)17-10-12-19(28-2)13-11-17/h6-13H,3-5,14-15H2,1-2H3,(H,25,27)
InChIKeyYDQMKMCNKRDDQL-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.64
Rot. Bonds5

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

N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-4-methylbenzamide (PubChem CID 53182024) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-4-methylbenzamide
PubChem CID53182024
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-4-methylbenzamide
SMILESCOc1ccc(-c2noc(C3(NC(=O)c4ccc(C)cc4)CCCCC3)n2)cc1
InChIInChI=1S/C23H25N3O3/c1-16-6-8-18(9-7-16)21(27)25-23(14-4-3-5-15-23)22-24-20(26-29-22)17-10-12-19(28-2)13-11-17/h6-13H,3-5,14-15H2,1-2H3,(H,25,27)
InChIKeyYDQMKMCNKRDDQL-UHFFFAOYSA-N
XLogP4.64
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-4-methylbenzamide?
The IUPAC name of N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-4-methylbenzamide (CID 53182024) is N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-4-methylbenzamide.
What is the SMILES notation for N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-4-methylbenzamide?
The canonical SMILES for N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-4-methylbenzamide is COc1ccc(-c2noc(C3(NC(=O)c4ccc(C)cc4)CCCCC3)n2)cc1.
What is the InChIKey of N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-4-methylbenzamide?
The InChIKey is YDQMKMCNKRDDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-6-8-18(9-7-16)21(27)25-23(14-4-3-5-15-23)22-24-20(26-29-22)17-10-12-19(28-2)13-11-17/h6-13H,3-5,14-15H2,1-2H3,(H,25,27).
What are the key properties of N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-4-methylbenzamide?
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-4-methylbenzamide has a molecular weight of 391.47 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-4-methylbenzamide is sourced from PubChem (CID 53182024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).