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

C12H20N4O2 — CID 62687449

IUPAC4-amino-N-[(4-ethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCCC1CCC(CNC(=O)c2nonc2N)CC1
InChIInChI=1S/C12H20N4O2/c1-2-8-3-5-9(6-4-8)7-14-12(17)10-11(13)16-18-15-10/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,17)
InChIKeySDHPAHHMQBBDJD-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.60
Rot. Bonds4

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

4-amino-N-[(4-ethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62687449) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-amino-N-[(4-ethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-ethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID62687449
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-amino-N-[(4-ethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCCC1CCC(CNC(=O)c2nonc2N)CC1
InChIInChI=1S/C12H20N4O2/c1-2-8-3-5-9(6-4-8)7-14-12(17)10-11(13)16-18-15-10/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,17)
InChIKeySDHPAHHMQBBDJD-UHFFFAOYSA-N
XLogP1.60
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.60
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-ethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(4-ethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide (CID 62687449) is 4-amino-N-[(4-ethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-ethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(4-ethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide is CCC1CCC(CNC(=O)c2nonc2N)CC1.
What is the InChIKey of 4-amino-N-[(4-ethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is SDHPAHHMQBBDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-8-3-5-9(6-4-8)7-14-12(17)10-11(13)16-18-15-10/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,17).
What are the key properties of 4-amino-N-[(4-ethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[(4-ethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-ethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62687449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).