4-(difluoromethoxy)-5-fluoro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine

C12H12F3N3O2 — CID 63591744

IUPAC4-(difluoromethoxy)-5-fluoro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine
SMILESCc1cc(CNc2cc(OC(F)F)c(F)cc2N)no1
InChIInChI=1S/C12H12F3N3O2/c1-6-2-7(18-20-6)5-17-10-4-11(19-12(14)15)8(13)3-9(10)16/h2-4,12,17H,5,16H2,1H3
InChIKeyFZUXURZZOXDILN-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.92
Rot. Bonds5

About 4-(difluoromethoxy)-5-fluoro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine

4-(difluoromethoxy)-5-fluoro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine (PubChem CID 63591744) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 4-(difluoromethoxy)-5-fluoro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-(difluoromethoxy)-5-fluoro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine
PubChem CID63591744
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name4-(difluoromethoxy)-5-fluoro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine
SMILESCc1cc(CNc2cc(OC(F)F)c(F)cc2N)no1
InChIInChI=1S/C12H12F3N3O2/c1-6-2-7(18-20-6)5-17-10-4-11(19-12(14)15)8(13)3-9(10)16/h2-4,12,17H,5,16H2,1H3
InChIKeyFZUXURZZOXDILN-UHFFFAOYSA-N
XLogP2.92
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-5-fluoro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine?
The IUPAC name of 4-(difluoromethoxy)-5-fluoro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine (CID 63591744) is 4-(difluoromethoxy)-5-fluoro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 4-(difluoromethoxy)-5-fluoro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine?
The canonical SMILES for 4-(difluoromethoxy)-5-fluoro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine is Cc1cc(CNc2cc(OC(F)F)c(F)cc2N)no1.
What is the InChIKey of 4-(difluoromethoxy)-5-fluoro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine?
The InChIKey is FZUXURZZOXDILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c1-6-2-7(18-20-6)5-17-10-4-11(19-12(14)15)8(13)3-9(10)16/h2-4,12,17H,5,16H2,1H3.
What are the key properties of 4-(difluoromethoxy)-5-fluoro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine?
4-(difluoromethoxy)-5-fluoro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine has a molecular weight of 287.24 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-5-fluoro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 63591744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).