5-[1-(aminomethyl)cycloheptyl]-1,2,4-oxadiazole-3-carboxamide

C11H18N4O2 — CID 102790397

IUPAC5-[1-(aminomethyl)cycloheptyl]-1,2,4-oxadiazole-3-carboxamide
SMILESNCC1(c2nc(C(N)=O)no2)CCCCCC1
InChIInChI=1S/C11H18N4O2/c12-7-11(5-3-1-2-4-6-11)10-14-9(8(13)16)15-17-10/h1-7,12H2,(H2,13,16)
InChIKeyOOKDISWCERCVJK-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.72
Rot. Bonds3

About 5-[1-(aminomethyl)cycloheptyl]-1,2,4-oxadiazole-3-carboxamide

5-[1-(aminomethyl)cycloheptyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790397) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-[1-(aminomethyl)cycloheptyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(aminomethyl)cycloheptyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790397
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-[1-(aminomethyl)cycloheptyl]-1,2,4-oxadiazole-3-carboxamide
SMILESNCC1(c2nc(C(N)=O)no2)CCCCCC1
InChIInChI=1S/C11H18N4O2/c12-7-11(5-3-1-2-4-6-11)10-14-9(8(13)16)15-17-10/h1-7,12H2,(H2,13,16)
InChIKeyOOKDISWCERCVJK-UHFFFAOYSA-N
XLogP0.72
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate
CID 112631594
[1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 115436510
[1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 116808128
ethyl 5-[4-(aminomethyl)oxan-4-yl]-1,2,4-oxadiazole-3-carboxylate
CID 112631526
[1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 107501925
5-(2-amino-1-methylcyclohexyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790306
ethyl 5-[1-(aminomethyl)-4-methylcyclohexyl]-1,2,4-oxadiazole-3-carboxylate
CID 112631754
[1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 115433782
[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride
CID 119948065
[1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine
CID 116806535
[1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 102926483
[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclobutyl]methanamine
CID 115446020

Frequently Asked Questions

What is the IUPAC name of 5-[1-(aminomethyl)cycloheptyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[1-(aminomethyl)cycloheptyl]-1,2,4-oxadiazole-3-carboxamide (CID 102790397) is 5-[1-(aminomethyl)cycloheptyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[1-(aminomethyl)cycloheptyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[1-(aminomethyl)cycloheptyl]-1,2,4-oxadiazole-3-carboxamide is NCC1(c2nc(C(N)=O)no2)CCCCCC1.
What is the InChIKey of 5-[1-(aminomethyl)cycloheptyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is OOKDISWCERCVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-7-11(5-3-1-2-4-6-11)10-14-9(8(13)16)15-17-10/h1-7,12H2,(H2,13,16).
What are the key properties of 5-[1-(aminomethyl)cycloheptyl]-1,2,4-oxadiazole-3-carboxamide?
5-[1-(aminomethyl)cycloheptyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(aminomethyl)cycloheptyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).