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

C11H11F2N3O2 — CID 103741993

IUPAC2-(difluoromethoxy)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
SMILESCc1nc(CNc2ccccc2OC(F)F)no1
InChIInChI=1S/C11H11F2N3O2/c1-7-15-10(16-18-7)6-14-8-4-2-3-5-9(8)17-11(12)13/h2-5,11,14H,6H2,1H3
InChIKeyJOHZIZKTAGDSIW-UHFFFAOYSA-N
MW255.22 g/mol
LogP2.59
Rot. Bonds5

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

2-(difluoromethoxy)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline (PubChem CID 103741993) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
PubChem CID103741993
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC Name2-(difluoromethoxy)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
SMILESCc1nc(CNc2ccccc2OC(F)F)no1
InChIInChI=1S/C11H11F2N3O2/c1-7-15-10(16-18-7)6-14-8-4-2-3-5-9(8)17-11(12)13/h2-5,11,14H,6H2,1H3
InChIKeyJOHZIZKTAGDSIW-UHFFFAOYSA-N
XLogP2.59
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-[2-(difluoromethoxy)-5-fluorophenyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 71919099
2-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 113252882
2-(difluoromethoxy)-N-[(5-methylfuran-2-yl)methyl]aniline
CID 28623990
2-(difluoromethoxy)-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81311383
2,3,4-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103742013
N-(2-methoxyphenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzamide
CID 71922397
2-(difluoromethoxy)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82888104
4-bromo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethoxy)aniline
CID 103242797
N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline
CID 60922273
2-(difluoromethoxy)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline
CID 78833758
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(difluoromethoxy)aniline
CID 115686029
2,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103741958

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline?
The IUPAC name of 2-(difluoromethoxy)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline (CID 103741993) is 2-(difluoromethoxy)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline.
What is the SMILES notation for 2-(difluoromethoxy)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline?
The canonical SMILES for 2-(difluoromethoxy)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline is Cc1nc(CNc2ccccc2OC(F)F)no1.
What is the InChIKey of 2-(difluoromethoxy)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline?
The InChIKey is JOHZIZKTAGDSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c1-7-15-10(16-18-7)6-14-8-4-2-3-5-9(8)17-11(12)13/h2-5,11,14H,6H2,1H3.
What are the key properties of 2-(difluoromethoxy)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline?
2-(difluoromethoxy)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline has a molecular weight of 255.22 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline is sourced from PubChem (CID 103741993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).