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

C13H21N5O3 — CID 62687994

IUPAC4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCN(CC(=O)N(C)C1CCCCC1)C(=O)c1nonc1N
InChIInChI=1S/C13H21N5O3/c1-17(13(20)11-12(14)16-21-15-11)8-10(19)18(2)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3,(H2,14,16)
InChIKeyRXGJXMHXLGCCPS-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.51
Rot. Bonds4

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

4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62687994) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID62687994
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCN(CC(=O)N(C)C1CCCCC1)C(=O)c1nonc1N
InChIInChI=1S/C13H21N5O3/c1-17(13(20)11-12(14)16-21-15-11)8-10(19)18(2)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3,(H2,14,16)
InChIKeyRXGJXMHXLGCCPS-UHFFFAOYSA-N
XLogP0.51
TPSA105.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(cyclohexylmethyl)-N-methyl-1,2,5-oxadiazole-3-carboxamide
CID 55090465
4-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62686900
4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61109567
3-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylpropanamide
CID 54873292
2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylpropanamide
CID 54873302
4-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,5-oxadiazole-3-carboxamide
CID 62688491
(2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide
CID 79012366
(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide
CID 61163036
N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60964179
5-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylhexanamide
CID 82850535
2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylbutanediamide
CID 60962649
N-cycloheptyl-2-hydroxy-N-methylacetamide
CID 130678772

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide (CID 62687994) is 4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide is CN(CC(=O)N(C)C1CCCCC1)C(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is RXGJXMHXLGCCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-17(13(20)11-12(14)16-21-15-11)8-10(19)18(2)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3,(H2,14,16).
What are the key properties of 4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62687994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).