5-(1-cyclohexyl-6-oxoheptan-4-yl)-1,2,4-oxadiazole-3-carboxamide

C16H25N3O3 — CID 23526907

IUPAC5-(1-cyclohexyl-6-oxoheptan-4-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESCC(=O)CC(CCCC1CCCCC1)c1nc(C(N)=O)no1
InChIInChI=1S/C16H25N3O3/c1-11(20)10-13(16-18-15(14(17)21)19-22-16)9-5-8-12-6-3-2-4-7-12/h12-13H,2-10H2,1H3,(H2,17,21)
InChIKeyDVVANWQGYIJLSH-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.98
Rot. Bonds8

About 5-(1-cyclohexyl-6-oxoheptan-4-yl)-1,2,4-oxadiazole-3-carboxamide

5-(1-cyclohexyl-6-oxoheptan-4-yl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 23526907) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 5-(1-cyclohexyl-6-oxoheptan-4-yl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(1-cyclohexyl-6-oxoheptan-4-yl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID23526907
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name5-(1-cyclohexyl-6-oxoheptan-4-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESCC(=O)CC(CCCC1CCCCC1)c1nc(C(N)=O)no1
InChIInChI=1S/C16H25N3O3/c1-11(20)10-13(16-18-15(14(17)21)19-22-16)9-5-8-12-6-3-2-4-7-12/h12-13H,2-10H2,1H3,(H2,17,21)
InChIKeyDVVANWQGYIJLSH-UHFFFAOYSA-N
XLogP2.98
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexyl-6-oxoheptan-4-yl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(1-cyclohexyl-6-oxoheptan-4-yl)-1,2,4-oxadiazole-3-carboxamide (CID 23526907) is 5-(1-cyclohexyl-6-oxoheptan-4-yl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(1-cyclohexyl-6-oxoheptan-4-yl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(1-cyclohexyl-6-oxoheptan-4-yl)-1,2,4-oxadiazole-3-carboxamide is CC(=O)CC(CCCC1CCCCC1)c1nc(C(N)=O)no1.
What is the InChIKey of 5-(1-cyclohexyl-6-oxoheptan-4-yl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is DVVANWQGYIJLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11(20)10-13(16-18-15(14(17)21)19-22-16)9-5-8-12-6-3-2-4-7-12/h12-13H,2-10H2,1H3,(H2,17,21).
What are the key properties of 5-(1-cyclohexyl-6-oxoheptan-4-yl)-1,2,4-oxadiazole-3-carboxamide?
5-(1-cyclohexyl-6-oxoheptan-4-yl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexyl-6-oxoheptan-4-yl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 23526907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).