N-(4-aminocyclohexyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide

C11H18N4O2 — CID 79121057

IUPACN-(4-aminocyclohexyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(C(=O)N(C)C2CCC(N)CC2)no1
InChIInChI=1S/C11H18N4O2/c1-7-13-10(14-17-7)11(16)15(2)9-5-3-8(12)4-6-9/h8-9H,3-6,12H2,1-2H3
InChIKeyYIGSWWUUJWKKGT-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.72
Rot. Bonds2

About N-(4-aminocyclohexyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide

N-(4-aminocyclohexyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 79121057) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID79121057
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-(4-aminocyclohexyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(C(=O)N(C)C2CCC(N)CC2)no1
InChIInChI=1S/C11H18N4O2/c1-7-13-10(14-17-7)11(16)15(2)9-5-3-8(12)4-6-9/h8-9H,3-6,12H2,1-2H3
InChIKeyYIGSWWUUJWKKGT-UHFFFAOYSA-N
XLogP0.72
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide (CID 79121057) is N-(4-aminocyclohexyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide is Cc1nc(C(=O)N(C)C2CCC(N)CC2)no1.
What is the InChIKey of N-(4-aminocyclohexyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is YIGSWWUUJWKKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7-13-10(14-17-7)11(16)15(2)9-5-3-8(12)4-6-9/h8-9H,3-6,12H2,1-2H3.
What are the key properties of N-(4-aminocyclohexyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide?
N-(4-aminocyclohexyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 79121057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).