3-[cyclopropyl(methoxy)methyl]-N-methyl-1,2,4-oxadiazol-5-amine

C8H13N3O2 — CID 116730884

IUPAC3-[cyclopropyl(methoxy)methyl]-N-methyl-1,2,4-oxadiazol-5-amine
SMILESCNc1nc(C(OC)C2CC2)no1
InChIInChI=1S/C8H13N3O2/c1-9-8-10-7(11-13-8)6(12-2)5-3-4-5/h5-6H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyGXNXOWJJISHAQV-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.21
Rot. Bonds4

About 3-[cyclopropyl(methoxy)methyl]-N-methyl-1,2,4-oxadiazol-5-amine

3-[cyclopropyl(methoxy)methyl]-N-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 116730884) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-[cyclopropyl(methoxy)methyl]-N-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-[cyclopropyl(methoxy)methyl]-N-methyl-1,2,4-oxadiazol-5-amine
PubChem CID116730884
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-[cyclopropyl(methoxy)methyl]-N-methyl-1,2,4-oxadiazol-5-amine
SMILESCNc1nc(C(OC)C2CC2)no1
InChIInChI=1S/C8H13N3O2/c1-9-8-10-7(11-13-8)6(12-2)5-3-4-5/h5-6H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyGXNXOWJJISHAQV-UHFFFAOYSA-N
XLogP1.21
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116703517
3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine
CID 116743450
4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine
CID 116703433
5-(2-chloroethyl)-3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazole
CID 116701127
(1S)-2-amino-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 107837305
1-cyclopentyl-2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 116733432
2-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 116743511
1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 116732892
5-bromo-2-[cyclopropyl(methoxy)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 116729630
4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 116703574
2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813550
3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116743468

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methoxy)methyl]-N-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-[cyclopropyl(methoxy)methyl]-N-methyl-1,2,4-oxadiazol-5-amine (CID 116730884) is 3-[cyclopropyl(methoxy)methyl]-N-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-[cyclopropyl(methoxy)methyl]-N-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-[cyclopropyl(methoxy)methyl]-N-methyl-1,2,4-oxadiazol-5-amine is CNc1nc(C(OC)C2CC2)no1.
What is the InChIKey of 3-[cyclopropyl(methoxy)methyl]-N-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is GXNXOWJJISHAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-9-8-10-7(11-13-8)6(12-2)5-3-4-5/h5-6H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of 3-[cyclopropyl(methoxy)methyl]-N-methyl-1,2,4-oxadiazol-5-amine?
3-[cyclopropyl(methoxy)methyl]-N-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 183.21 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(methoxy)methyl]-N-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 116730884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).