4-amino-N-[(4-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide

C11H18N4O2 — CID 63243827

IUPAC4-amino-N-[(4-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCC1CCC(CNC(=O)c2nonc2N)CC1
InChIInChI=1S/C11H18N4O2/c1-7-2-4-8(5-3-7)6-13-11(16)9-10(12)15-17-14-9/h7-8H,2-6H2,1H3,(H2,12,15)(H,13,16)
InChIKeyVGNFEJQLGPCKQN-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.21
Rot. Bonds3

About 4-amino-N-[(4-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[(4-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 63243827) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-amino-N-[(4-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID63243827
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-amino-N-[(4-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCC1CCC(CNC(=O)c2nonc2N)CC1
InChIInChI=1S/C11H18N4O2/c1-7-2-4-8(5-3-7)6-13-11(16)9-10(12)15-17-14-9/h7-8H,2-6H2,1H3,(H2,12,15)(H,13,16)
InChIKeyVGNFEJQLGPCKQN-UHFFFAOYSA-N
XLogP1.21
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(4-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide (CID 63243827) is 4-amino-N-[(4-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(4-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide is CC1CCC(CNC(=O)c2nonc2N)CC1.
What is the InChIKey of 4-amino-N-[(4-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is VGNFEJQLGPCKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7-2-4-8(5-3-7)6-13-11(16)9-10(12)15-17-14-9/h7-8H,2-6H2,1H3,(H2,12,15)(H,13,16).
What are the key properties of 4-amino-N-[(4-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[(4-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-methylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 63243827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).