3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine

C7H12N4O2 — CID 131153675

IUPAC3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine
SMILESNCc1nc(C2(N)CCOC2)no1
InChIInChI=1S/C7H12N4O2/c8-3-5-10-6(11-13-5)7(9)1-2-12-4-7/h1-4,8-9H2
InChIKeyIXCWVPQOGVWEOA-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.90
Rot. Bonds2

About 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine

3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine (PubChem CID 131153675) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine.

Molecular Properties

Compound Name3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine
PubChem CID131153675
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine
SMILESNCc1nc(C2(N)CCOC2)no1
InChIInChI=1S/C7H12N4O2/c8-3-5-10-6(11-13-5)7(9)1-2-12-4-7/h1-4,8-9H2
InChIKeyIXCWVPQOGVWEOA-UHFFFAOYSA-N
XLogP-0.90
TPSA100.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine
CID 63333278
[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 119947905
2-[3-(3-methyloxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115027385
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862018
3-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 116741976
[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 63079286
[3-(1-pyrrol-1-ylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 121210246
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863268
4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine
CID 61339130
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354340
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 64888058
2-[3-(3-methyloxolan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 115027752

Frequently Asked Questions

What is the IUPAC name of 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine?
The IUPAC name of 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine (CID 131153675) is 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine.
What is the SMILES notation for 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine?
The canonical SMILES for 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine is NCc1nc(C2(N)CCOC2)no1.
What is the InChIKey of 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine?
The InChIKey is IXCWVPQOGVWEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c8-3-5-10-6(11-13-5)7(9)1-2-12-4-7/h1-4,8-9H2.
What are the key properties of 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine?
3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine has a molecular weight of 184.20 g/mol, XLogP of -0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine is sourced from PubChem (CID 131153675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).