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

C24H28N4O3 — CID 53182037

IUPAC4-butoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide
SMILESCCCCOc1ccc(C(=O)NC2(c3nc(-c4cccnc4)no3)CCCCC2)cc1
InChIInChI=1S/C24H28N4O3/c1-2-3-16-30-20-11-9-18(10-12-20)22(29)27-24(13-5-4-6-14-24)23-26-21(28-31-23)19-8-7-15-25-17-19/h7-12,15,17H,2-6,13-14,16H2,1H3,(H,27,29)
InChIKeyKBBJOTHDRIURAE-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.90
Rot. Bonds8

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

4-butoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide (PubChem CID 53182037) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-butoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide
PubChem CID53182037
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name4-butoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide
SMILESCCCCOc1ccc(C(=O)NC2(c3nc(-c4cccnc4)no3)CCCCC2)cc1
InChIInChI=1S/C24H28N4O3/c1-2-3-16-30-20-11-9-18(10-12-20)22(29)27-24(13-5-4-6-14-24)23-26-21(28-31-23)19-8-7-15-25-17-19/h7-12,15,17H,2-6,13-14,16H2,1H3,(H,27,29)
InChIKeyKBBJOTHDRIURAE-UHFFFAOYSA-N
XLogP4.90
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide?
The IUPAC name of 4-butoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide (CID 53182037) is 4-butoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide?
The canonical SMILES for 4-butoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide is CCCCOc1ccc(C(=O)NC2(c3nc(-c4cccnc4)no3)CCCCC2)cc1.
What is the InChIKey of 4-butoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide?
The InChIKey is KBBJOTHDRIURAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-2-3-16-30-20-11-9-18(10-12-20)22(29)27-24(13-5-4-6-14-24)23-26-21(28-31-23)19-8-7-15-25-17-19/h7-12,15,17H,2-6,13-14,16H2,1H3,(H,27,29).
What are the key properties of 4-butoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide?
4-butoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide has a molecular weight of 420.51 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide is sourced from PubChem (CID 53182037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).