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

C12H20N4O3 — CID 65119002

IUPAC4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCCC1CCC(O)(CNC(=O)c2nonc2N)CC1
InChIInChI=1S/C12H20N4O3/c1-2-8-3-5-12(18,6-4-8)7-14-11(17)9-10(13)16-19-15-9/h8,18H,2-7H2,1H3,(H2,13,16)(H,14,17)
InChIKeyZVEZKRUNMHXHIE-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.71
Rot. Bonds4

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

4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 65119002) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID65119002
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCCC1CCC(O)(CNC(=O)c2nonc2N)CC1
InChIInChI=1S/C12H20N4O3/c1-2-8-3-5-12(18,6-4-8)7-14-11(17)9-10(13)16-19-15-9/h8,18H,2-7H2,1H3,(H2,13,16)(H,14,17)
InChIKeyZVEZKRUNMHXHIE-UHFFFAOYSA-N
XLogP0.71
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide (CID 65119002) is 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide is CCC1CCC(O)(CNC(=O)c2nonc2N)CC1.
What is the InChIKey of 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is ZVEZKRUNMHXHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-2-8-3-5-12(18,6-4-8)7-14-11(17)9-10(13)16-19-15-9/h8,18H,2-7H2,1H3,(H2,13,16)(H,14,17).
What are the key properties of 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 65119002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).