N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclohexanecarboxamide

C16H25N3O2 — CID 53181901

IUPACN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclohexanecarboxamide
SMILESCc1noc(C2(NC(=O)C3CCCCC3)CCCCC2)n1
InChIInChI=1S/C16H25N3O2/c1-12-17-15(21-19-12)16(10-6-3-7-11-16)18-14(20)13-8-4-2-5-9-13/h13H,2-11H2,1H3,(H,18,20)
InChIKeyFBWICRRFZWIKFZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.23
Rot. Bonds3

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

N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclohexanecarboxamide (PubChem CID 53181901) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclohexanecarboxamide
PubChem CID53181901
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclohexanecarboxamide
SMILESCc1noc(C2(NC(=O)C3CCCCC3)CCCCC2)n1
InChIInChI=1S/C16H25N3O2/c1-12-17-15(21-19-12)16(10-6-3-7-11-16)18-14(20)13-8-4-2-5-9-13/h13H,2-11H2,1H3,(H,18,20)
InChIKeyFBWICRRFZWIKFZ-UHFFFAOYSA-N
XLogP3.23
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclohexanecarboxamide (CID 53181901) is N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclohexanecarboxamide is Cc1noc(C2(NC(=O)C3CCCCC3)CCCCC2)n1.
What is the InChIKey of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclohexanecarboxamide?
The InChIKey is FBWICRRFZWIKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-17-15(21-19-12)16(10-6-3-7-11-16)18-14(20)13-8-4-2-5-9-13/h13H,2-11H2,1H3,(H,18,20).
What are the key properties of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclohexanecarboxamide?
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclohexanecarboxamide has a molecular weight of 291.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclohexanecarboxamide is sourced from PubChem (CID 53181901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).