N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)oxan-4-amine

C14H17N3O2 — CID 106474300

IUPACN-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
SMILESCNC1CCOCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C14H17N3O2/c1-15-12-7-8-18-9-11(12)14-16-13(17-19-14)10-5-3-2-4-6-10/h2-6,11-12,15H,7-9H2,1H3
InChIKeyVXEJVZQGAMFOLB-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.83
Rot. Bonds3

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

N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)oxan-4-amine (PubChem CID 106474300) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)oxan-4-amine.

Molecular Properties

Compound NameN-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
PubChem CID106474300
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
SMILESCNC1CCOCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C14H17N3O2/c1-15-12-7-8-18-9-11(12)14-16-13(17-19-14)10-5-3-2-4-6-10/h2-6,11-12,15H,7-9H2,1H3
InChIKeyVXEJVZQGAMFOLB-UHFFFAOYSA-N
XLogP1.83
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)oxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474380
N-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cycloheptan-1-amine
CID 63347847
3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474780
N,N-dimethyl-5-[4-(methylamino)oxan-3-yl]-1,2,4-oxadiazol-3-amine
CID 106474742
4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine
CID 66238041
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 63347506
4-[5-[4-(methylamino)oxolan-3-yl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888894
N-propyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 106474289
3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474625
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 63348400
3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 91663021
3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474530

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)oxan-4-amine?
The IUPAC name of N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)oxan-4-amine (CID 106474300) is N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)oxan-4-amine.
What is the SMILES notation for N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)oxan-4-amine?
The canonical SMILES for N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)oxan-4-amine is CNC1CCOCC1c1nc(-c2ccccc2)no1.
What is the InChIKey of N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)oxan-4-amine?
The InChIKey is VXEJVZQGAMFOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-15-12-7-8-18-9-11(12)14-16-13(17-19-14)10-5-3-2-4-6-10/h2-6,11-12,15H,7-9H2,1H3.
What are the key properties of N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)oxan-4-amine?
N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)oxan-4-amine has a molecular weight of 259.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)oxan-4-amine is sourced from PubChem (CID 106474300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).