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

C12H19N3O3 — CID 116703433

IUPAC4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine
SMILESCNC1COCC1c1nc(C(OC)C2CC2)no1
InChIInChI=1S/C12H19N3O3/c1-13-9-6-17-5-8(9)12-14-11(15-18-12)10(16-2)7-3-4-7/h7-10,13H,3-6H2,1-2H3
InChIKeyAVOMECQKQSPIEB-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.87
Rot. Bonds5

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

4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine (PubChem CID 116703433) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine
PubChem CID116703433
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine
SMILESCNC1COCC1c1nc(C(OC)C2CC2)no1
InChIInChI=1S/C12H19N3O3/c1-13-9-6-17-5-8(9)12-14-11(15-18-12)10(16-2)7-3-4-7/h7-10,13H,3-6H2,1-2H3
InChIKeyAVOMECQKQSPIEB-UHFFFAOYSA-N
XLogP0.87
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[cyclopropyl(methoxy)methyl]-N-methyl-1,2,4-oxadiazol-5-amine
CID 116730884
4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-methyloxolan-3-amine
CID 66237641
N-methyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66237436
N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 66248052
N-methyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66266076
2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116703517
4-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 116781452
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474163
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66252493
N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66235822
N-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66238055
3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine
CID 116743450

Frequently Asked Questions

What is the IUPAC name of 4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine?
The IUPAC name of 4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine (CID 116703433) is 4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine.
What is the SMILES notation for 4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine?
The canonical SMILES for 4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine is CNC1COCC1c1nc(C(OC)C2CC2)no1.
What is the InChIKey of 4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine?
The InChIKey is AVOMECQKQSPIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-13-9-6-17-5-8(9)12-14-11(15-18-12)10(16-2)7-3-4-7/h7-10,13H,3-6H2,1-2H3.
What are the key properties of 4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine?
4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine has a molecular weight of 253.30 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine is sourced from PubChem (CID 116703433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).