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

C13H21N3O2 — CID 50754878

IUPACN-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexanecarboxamide
SMILESCC(C)c1nc(CNC(=O)C2CCCCC2)no1
InChIInChI=1S/C13H21N3O2/c1-9(2)13-15-11(16-18-13)8-14-12(17)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,14,17)
InChIKeyAKRCNRDSENPLNB-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.39
Rot. Bonds4

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

N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexanecarboxamide (PubChem CID 50754878) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexanecarboxamide
PubChem CID50754878
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexanecarboxamide
SMILESCC(C)c1nc(CNC(=O)C2CCCCC2)no1
InChIInChI=1S/C13H21N3O2/c1-9(2)13-15-11(16-18-13)8-14-12(17)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,14,17)
InChIKeyAKRCNRDSENPLNB-UHFFFAOYSA-N
XLogP2.39
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexanecarboxamide (CID 50754878) is N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexanecarboxamide is CC(C)c1nc(CNC(=O)C2CCCCC2)no1.
What is the InChIKey of N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexanecarboxamide?
The InChIKey is AKRCNRDSENPLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)13-15-11(16-18-13)8-14-12(17)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,14,17).
What are the key properties of N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexanecarboxamide?
N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexanecarboxamide has a molecular weight of 251.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 50754878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).