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

C13H21N3O3 — CID 106474581

IUPACN-methyl-3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESCNC1CCOCC1c1nc(C2(C)CCCO2)no1
InChIInChI=1S/C13H21N3O3/c1-13(5-3-6-18-13)12-15-11(19-16-12)9-8-17-7-4-10(9)14-2/h9-10,14H,3-8H2,1-2H3
InChIKeyMRMJNRZVJXGTQX-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.19
Rot. Bonds3

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

N-methyl-3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine (PubChem CID 106474581) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-methyl-3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine.

Molecular Properties

Compound NameN-methyl-3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
PubChem CID106474581
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-methyl-3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESCNC1CCOCC1c1nc(C2(C)CCCO2)no1
InChIInChI=1S/C13H21N3O3/c1-13(5-3-6-18-13)12-15-11(19-16-12)9-8-17-7-4-10(9)14-2/h9-10,14H,3-8H2,1-2H3
InChIKeyMRMJNRZVJXGTQX-UHFFFAOYSA-N
XLogP1.19
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 80681119
3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474174
3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474609
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474680
N,N-dimethyl-5-[4-(methylamino)oxan-3-yl]-1,2,4-oxadiazol-3-amine
CID 106474742
3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-propyloxan-4-amine
CID 106474592
3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 80690383
N-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474441
2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 116781300
3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474625
N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 106474300
4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83192469

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The IUPAC name of N-methyl-3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine (CID 106474581) is N-methyl-3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine.
What is the SMILES notation for N-methyl-3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The canonical SMILES for N-methyl-3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine is CNC1CCOCC1c1nc(C2(C)CCCO2)no1.
What is the InChIKey of N-methyl-3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The InChIKey is MRMJNRZVJXGTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-13(5-3-6-18-13)12-15-11(19-16-12)9-8-17-7-4-10(9)14-2/h9-10,14H,3-8H2,1-2H3.
What are the key properties of N-methyl-3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
N-methyl-3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine has a molecular weight of 267.33 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine is sourced from PubChem (CID 106474581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).