3,4-difluoro-N-[[5-(1,3-oxazol-2-yl)furan-2-yl]methyl]aniline

C14H10F2N2O2 — CID 139489546

IUPAC3,4-difluoro-N-[[5-(1,3-oxazol-2-yl)furan-2-yl]methyl]aniline
SMILESFc1ccc(NCc2ccc(-c3ncco3)o2)cc1F
InChIInChI=1S/C14H10F2N2O2/c15-11-3-1-9(7-12(11)16)18-8-10-2-4-13(20-10)14-17-5-6-19-14/h1-7,18H,8H2
InChIKeyDBLFHMLLTXDOOX-UHFFFAOYSA-N
MW276.24 g/mol
LogP3.82
Rot. Bonds4

About 3,4-difluoro-N-[[5-(1,3-oxazol-2-yl)furan-2-yl]methyl]aniline

3,4-difluoro-N-[[5-(1,3-oxazol-2-yl)furan-2-yl]methyl]aniline (PubChem CID 139489546) has the molecular formula C14H10F2N2O2 and a molecular weight of 276.24 g/mol. Its IUPAC name is 3,4-difluoro-N-[[5-(1,3-oxazol-2-yl)furan-2-yl]methyl]aniline.

Molecular Properties

Compound Name3,4-difluoro-N-[[5-(1,3-oxazol-2-yl)furan-2-yl]methyl]aniline
PubChem CID139489546
Molecular FormulaC14H10F2N2O2
Molecular Weight276.24 g/mol
Exact Mass276.07
IUPAC Name3,4-difluoro-N-[[5-(1,3-oxazol-2-yl)furan-2-yl]methyl]aniline
SMILESFc1ccc(NCc2ccc(-c3ncco3)o2)cc1F
InChIInChI=1S/C14H10F2N2O2/c15-11-3-1-9(7-12(11)16)18-8-10-2-4-13(20-10)14-17-5-6-19-14/h1-7,18H,8H2
InChIKeyDBLFHMLLTXDOOX-UHFFFAOYSA-N
XLogP3.82
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-difluoro-N-[[5-(1,3-oxazol-2-yl)furan-2-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

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[[5-(1,3-oxazol-2-yl)furan-2-yl]methyl]aniline?
The IUPAC name of 3,4-difluoro-N-[[5-(1,3-oxazol-2-yl)furan-2-yl]methyl]aniline (CID 139489546) is 3,4-difluoro-N-[[5-(1,3-oxazol-2-yl)furan-2-yl]methyl]aniline.
What is the SMILES notation for 3,4-difluoro-N-[[5-(1,3-oxazol-2-yl)furan-2-yl]methyl]aniline?
The canonical SMILES for 3,4-difluoro-N-[[5-(1,3-oxazol-2-yl)furan-2-yl]methyl]aniline is Fc1ccc(NCc2ccc(-c3ncco3)o2)cc1F.
What is the InChIKey of 3,4-difluoro-N-[[5-(1,3-oxazol-2-yl)furan-2-yl]methyl]aniline?
The InChIKey is DBLFHMLLTXDOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O2/c15-11-3-1-9(7-12(11)16)18-8-10-2-4-13(20-10)14-17-5-6-19-14/h1-7,18H,8H2.
What are the key properties of 3,4-difluoro-N-[[5-(1,3-oxazol-2-yl)furan-2-yl]methyl]aniline?
3,4-difluoro-N-[[5-(1,3-oxazol-2-yl)furan-2-yl]methyl]aniline has a molecular weight of 276.24 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[[5-(1,3-oxazol-2-yl)furan-2-yl]methyl]aniline is sourced from PubChem (CID 139489546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).