5-[(1-aminocyclohexyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid

C10H15N3O3 — CID 112631985

IUPAC5-[(1-aminocyclohexyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
SMILESNC1(Cc2nc(C(=O)O)no2)CCCCC1
InChIInChI=1S/C10H15N3O3/c11-10(4-2-1-3-5-10)6-7-12-8(9(14)15)13-16-7/h1-6,11H2,(H,14,15)
InChIKeyNDFBYVVBKPLVSY-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.97
Rot. Bonds3

About 5-[(1-aminocyclohexyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid

5-[(1-aminocyclohexyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 112631985) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-[(1-aminocyclohexyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1-aminocyclohexyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID112631985
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name5-[(1-aminocyclohexyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
SMILESNC1(Cc2nc(C(=O)O)no2)CCCCC1
InChIInChI=1S/C10H15N3O3/c11-10(4-2-1-3-5-10)6-7-12-8(9(14)15)13-16-7/h1-6,11H2,(H,14,15)
InChIKeyNDFBYVVBKPLVSY-UHFFFAOYSA-N
XLogP0.97
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-aminocyclopentyl)methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791146
1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 64673214
5-(cyclopentylmethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382576
1-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 80620335
1-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 64672623
1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 64672821
1-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 113291056
1-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine
CID 116806939
5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 55252728
5-(thian-2-ylmethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 115078441
N-ethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102791360
1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 116704464

Frequently Asked Questions

What is the IUPAC name of 5-[(1-aminocyclohexyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-[(1-aminocyclohexyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid (CID 112631985) is 5-[(1-aminocyclohexyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-[(1-aminocyclohexyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-[(1-aminocyclohexyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid is NC1(Cc2nc(C(=O)O)no2)CCCCC1.
What is the InChIKey of 5-[(1-aminocyclohexyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is NDFBYVVBKPLVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c11-10(4-2-1-3-5-10)6-7-12-8(9(14)15)13-16-7/h1-6,11H2,(H,14,15).
What are the key properties of 5-[(1-aminocyclohexyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid?
5-[(1-aminocyclohexyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-aminocyclohexyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 112631985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).