5-[[1-(aminomethyl)cyclobutyl]methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

C12H18N4O2 — CID 102790819

IUPAC5-[[1-(aminomethyl)cyclobutyl]methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESNCC1(Cc2nc(C(=O)NC3CC3)no2)CCC1
InChIInChI=1S/C12H18N4O2/c13-7-12(4-1-5-12)6-9-15-10(16-18-9)11(17)14-8-2-3-8/h8H,1-7,13H2,(H,14,17)
InChIKeyZYTDIAYUNBFVSP-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.63
Rot. Bonds5

About 5-[[1-(aminomethyl)cyclobutyl]methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

5-[[1-(aminomethyl)cyclobutyl]methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790819) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-[[1-(aminomethyl)cyclobutyl]methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[1-(aminomethyl)cyclobutyl]methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790819
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name5-[[1-(aminomethyl)cyclobutyl]methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESNCC1(Cc2nc(C(=O)NC3CC3)no2)CCC1
InChIInChI=1S/C12H18N4O2/c13-7-12(4-1-5-12)6-9-15-10(16-18-9)11(17)14-8-2-3-8/h8H,1-7,13H2,(H,14,17)
InChIKeyZYTDIAYUNBFVSP-UHFFFAOYSA-N
XLogP0.63
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[[1-(aminomethyl)cyclobutyl]methyl]-1,2,4-oxadiazole-3-carboxylate
CID 112631523
5-(aminooxymethyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790953
N-cyclopropyl-5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790857
5-[(4-aminophenoxy)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790931
5-(2-cyanopropyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 106527877
2-[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 120841840
5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-amine
CID 65417050
[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutyl]methanamine
CID 81161290
5-[3-(2-amino-1,3-thiazol-4-yl)propyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102791029
N-cyclopropyl-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790886
5-[(1-aminocyclopentyl)methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791146
[1-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81164248

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(aminomethyl)cyclobutyl]methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[1-(aminomethyl)cyclobutyl]methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (CID 102790819) is 5-[[1-(aminomethyl)cyclobutyl]methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[1-(aminomethyl)cyclobutyl]methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[1-(aminomethyl)cyclobutyl]methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is NCC1(Cc2nc(C(=O)NC3CC3)no2)CCC1.
What is the InChIKey of 5-[[1-(aminomethyl)cyclobutyl]methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is ZYTDIAYUNBFVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c13-7-12(4-1-5-12)6-9-15-10(16-18-9)11(17)14-8-2-3-8/h8H,1-7,13H2,(H,14,17).
What are the key properties of 5-[[1-(aminomethyl)cyclobutyl]methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
5-[[1-(aminomethyl)cyclobutyl]methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(aminomethyl)cyclobutyl]methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).