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

C14H21N3O2 — CID 53181922

IUPACN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclobutanecarboxamide
SMILESCc1noc(C2(NC(=O)C3CCC3)CCCCC2)n1
InChIInChI=1S/C14H21N3O2/c1-10-15-13(19-17-10)14(8-3-2-4-9-14)16-12(18)11-6-5-7-11/h11H,2-9H2,1H3,(H,16,18)
InChIKeyQXTAPLXQUVAHGU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.45
Rot. Bonds3

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

N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclobutanecarboxamide (PubChem CID 53181922) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclobutanecarboxamide
PubChem CID53181922
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclobutanecarboxamide
SMILESCc1noc(C2(NC(=O)C3CCC3)CCCCC2)n1
InChIInChI=1S/C14H21N3O2/c1-10-15-13(19-17-10)14(8-3-2-4-9-14)16-12(18)11-6-5-7-11/h11H,2-9H2,1H3,(H,16,18)
InChIKeyQXTAPLXQUVAHGU-UHFFFAOYSA-N
XLogP2.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.45
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]cyclobutanecarboxamide?
The IUPAC name of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclobutanecarboxamide (CID 53181922) is N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclobutanecarboxamide is Cc1noc(C2(NC(=O)C3CCC3)CCCCC2)n1.
What is the InChIKey of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclobutanecarboxamide?
The InChIKey is QXTAPLXQUVAHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-15-13(19-17-10)14(8-3-2-4-9-14)16-12(18)11-6-5-7-11/h11H,2-9H2,1H3,(H,16,18).
What are the key properties of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclobutanecarboxamide?
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclobutanecarboxamide has a molecular weight of 263.34 g/mol, XLogP of 2.45, 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]cyclobutanecarboxamide is sourced from PubChem (CID 53181922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).