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

C8H14N4O2 — CID 102790253

IUPAC5-[2-(aminomethyl)butyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCCC(CN)Cc1nc(C(N)=O)no1
InChIInChI=1S/C8H14N4O2/c1-2-5(4-9)3-6-11-8(7(10)13)12-14-6/h5H,2-4,9H2,1H3,(H2,10,13)
InChIKeyQLJWOTYDSCENKD-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.30
Rot. Bonds5

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

5-[2-(aminomethyl)butyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790253) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-[2-(aminomethyl)butyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(aminomethyl)butyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790253
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name5-[2-(aminomethyl)butyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCCC(CN)Cc1nc(C(N)=O)no1
InChIInChI=1S/C8H14N4O2/c1-2-5(4-9)3-6-11-8(7(10)13)12-14-6/h5H,2-4,9H2,1H3,(H2,10,13)
InChIKeyQLJWOTYDSCENKD-UHFFFAOYSA-N
XLogP-0.30
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(aminomethyl)butyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791278
5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790320
5-[(hexan-3-ylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 138623161
2-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 107924991
2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072858
2-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 116740930
5-(4-aminopentyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790082
5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790166
5-[2-(tert-butylamino)ethyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790052
2-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072269
2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072758
2-[[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81073143

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)butyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[2-(aminomethyl)butyl]-1,2,4-oxadiazole-3-carboxamide (CID 102790253) is 5-[2-(aminomethyl)butyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[2-(aminomethyl)butyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[2-(aminomethyl)butyl]-1,2,4-oxadiazole-3-carboxamide is CCC(CN)Cc1nc(C(N)=O)no1.
What is the InChIKey of 5-[2-(aminomethyl)butyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is QLJWOTYDSCENKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-2-5(4-9)3-6-11-8(7(10)13)12-14-6/h5H,2-4,9H2,1H3,(H2,10,13).
What are the key properties of 5-[2-(aminomethyl)butyl]-1,2,4-oxadiazole-3-carboxamide?
5-[2-(aminomethyl)butyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 198.23 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)butyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).