4-[2-(difluoromethyl)-5-methyl-1,3-oxazol-4-yl]aniline

C11H10F2N2O — CID 90046829

IUPAC4-[2-(difluoromethyl)-5-methyl-1,3-oxazol-4-yl]aniline
SMILESCc1oc(C(F)F)nc1-c1ccc(N)cc1
InChIInChI=1S/C11H10F2N2O/c1-6-9(15-11(16-6)10(12)13)7-2-4-8(14)5-3-7/h2-5,10H,14H2,1H3
InChIKeyNBOPMLQWQXZUFO-UHFFFAOYSA-N
MW224.21 g/mol
LogP3.17
Rot. Bonds2

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

4-[2-(difluoromethyl)-5-methyl-1,3-oxazol-4-yl]aniline (PubChem CID 90046829) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)-5-methyl-1,3-oxazol-4-yl]aniline.

Molecular Properties

Compound Name4-[2-(difluoromethyl)-5-methyl-1,3-oxazol-4-yl]aniline
PubChem CID90046829
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name4-[2-(difluoromethyl)-5-methyl-1,3-oxazol-4-yl]aniline
SMILESCc1oc(C(F)F)nc1-c1ccc(N)cc1
InChIInChI=1S/C11H10F2N2O/c1-6-9(15-11(16-6)10(12)13)7-2-4-8(14)5-3-7/h2-5,10H,14H2,1H3
InChIKeyNBOPMLQWQXZUFO-UHFFFAOYSA-N
XLogP3.17
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 53.17
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 4-[2-(difluoromethyl)-5-methyl-1,3-oxazol-4-yl]aniline?
The IUPAC name of 4-[2-(difluoromethyl)-5-methyl-1,3-oxazol-4-yl]aniline (CID 90046829) is 4-[2-(difluoromethyl)-5-methyl-1,3-oxazol-4-yl]aniline.
What is the SMILES notation for 4-[2-(difluoromethyl)-5-methyl-1,3-oxazol-4-yl]aniline?
The canonical SMILES for 4-[2-(difluoromethyl)-5-methyl-1,3-oxazol-4-yl]aniline is Cc1oc(C(F)F)nc1-c1ccc(N)cc1.
What is the InChIKey of 4-[2-(difluoromethyl)-5-methyl-1,3-oxazol-4-yl]aniline?
The InChIKey is NBOPMLQWQXZUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-6-9(15-11(16-6)10(12)13)7-2-4-8(14)5-3-7/h2-5,10H,14H2,1H3.
What are the key properties of 4-[2-(difluoromethyl)-5-methyl-1,3-oxazol-4-yl]aniline?
4-[2-(difluoromethyl)-5-methyl-1,3-oxazol-4-yl]aniline has a molecular weight of 224.21 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethyl)-5-methyl-1,3-oxazol-4-yl]aniline is sourced from PubChem (CID 90046829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).