1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine

C13H15F2N3O2 — CID 134038345

IUPAC1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCc1noc(CN(C)Cc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C13H15F2N3O2/c1-9-16-12(20-17-9)8-18(2)7-10-3-5-11(6-4-10)19-13(14)15/h3-6,13H,7-8H2,1-2H3
InChIKeyYASXCWCWQODMSG-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.61
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine

1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 134038345) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID134038345
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCc1noc(CN(C)Cc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C13H15F2N3O2/c1-9-16-12(20-17-9)8-18(2)7-10-3-5-11(6-4-10)19-13(14)15/h3-6,13H,7-8H2,1-2H3
InChIKeyYASXCWCWQODMSG-UHFFFAOYSA-N
XLogP2.61
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 134038345) is 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is Cc1noc(CN(C)Cc2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is YASXCWCWQODMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c1-9-16-12(20-17-9)8-18(2)7-10-3-5-11(6-4-10)19-13(14)15/h3-6,13H,7-8H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 283.28 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 134038345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).