2,4-difluoro-3-(1,3-oxazol-2-yl)aniline

C9H6F2N2O — CID 79773703

IUPAC2,4-difluoro-3-(1,3-oxazol-2-yl)aniline
SMILESNc1ccc(F)c(-c2ncco2)c1F
InChIInChI=1S/C9H6F2N2O/c10-5-1-2-6(12)8(11)7(5)9-13-3-4-14-9/h1-4H,12H2
InChIKeyGRJLQTFJWQHBPT-UHFFFAOYSA-N
MW196.16 g/mol
LogP2.20
Rot. Bonds1

About 2,4-difluoro-3-(1,3-oxazol-2-yl)aniline

2,4-difluoro-3-(1,3-oxazol-2-yl)aniline (PubChem CID 79773703) has the molecular formula C9H6F2N2O and a molecular weight of 196.16 g/mol. Its IUPAC name is 2,4-difluoro-3-(1,3-oxazol-2-yl)aniline.

Molecular Properties

Compound Name2,4-difluoro-3-(1,3-oxazol-2-yl)aniline
PubChem CID79773703
Molecular FormulaC9H6F2N2O
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name2,4-difluoro-3-(1,3-oxazol-2-yl)aniline
SMILESNc1ccc(F)c(-c2ncco2)c1F
InChIInChI=1S/C9H6F2N2O/c10-5-1-2-6(12)8(11)7(5)9-13-3-4-14-9/h1-4H,12H2
InChIKeyGRJLQTFJWQHBPT-UHFFFAOYSA-N
XLogP2.20
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-(1,3-oxazol-2-yl)aniline?
The IUPAC name of 2,4-difluoro-3-(1,3-oxazol-2-yl)aniline (CID 79773703) is 2,4-difluoro-3-(1,3-oxazol-2-yl)aniline.
What is the SMILES notation for 2,4-difluoro-3-(1,3-oxazol-2-yl)aniline?
The canonical SMILES for 2,4-difluoro-3-(1,3-oxazol-2-yl)aniline is Nc1ccc(F)c(-c2ncco2)c1F.
What is the InChIKey of 2,4-difluoro-3-(1,3-oxazol-2-yl)aniline?
The InChIKey is GRJLQTFJWQHBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O/c10-5-1-2-6(12)8(11)7(5)9-13-3-4-14-9/h1-4H,12H2.
What are the key properties of 2,4-difluoro-3-(1,3-oxazol-2-yl)aniline?
2,4-difluoro-3-(1,3-oxazol-2-yl)aniline has a molecular weight of 196.16 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-(1,3-oxazol-2-yl)aniline is sourced from PubChem (CID 79773703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).