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

C12H21N5O2 — CID 62686917

IUPAC4-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCN(C)C1(CNC(=O)c2nonc2N)CCCCC1
InChIInChI=1S/C12H21N5O2/c1-17(2)12(6-4-3-5-7-12)8-14-11(18)9-10(13)16-19-15-9/h3-8H2,1-2H3,(H2,13,16)(H,14,18)
InChIKeyNOUAZYBDSISQQA-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.65
Rot. Bonds4

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

4-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62686917) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID62686917
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name4-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCN(C)C1(CNC(=O)c2nonc2N)CCCCC1
InChIInChI=1S/C12H21N5O2/c1-17(2)12(6-4-3-5-7-12)8-14-11(18)9-10(13)16-19-15-9/h3-8H2,1-2H3,(H2,13,16)(H,14,18)
InChIKeyNOUAZYBDSISQQA-UHFFFAOYSA-N
XLogP0.65
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,2,5-oxadiazole-3-carboxamide (CID 62686917) is 4-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,2,5-oxadiazole-3-carboxamide is CN(C)C1(CNC(=O)c2nonc2N)CCCCC1.
What is the InChIKey of 4-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is NOUAZYBDSISQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-17(2)12(6-4-3-5-7-12)8-14-11(18)9-10(13)16-19-15-9/h3-8H2,1-2H3,(H2,13,16)(H,14,18).
What are the key properties of 4-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62686917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).