2-[2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-2-yl]-N-methylaniline

C19H19FN2O — CID 2326905

IUPAC2-[2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-2-yl]-N-methylaniline
SMILESCNc1ccccc1C(C)(C)c1cc(-c2ccc(F)cc2)no1
InChIInChI=1S/C19H19FN2O/c1-19(2,15-6-4-5-7-16(15)21-3)18-12-17(22-23-18)13-8-10-14(20)11-9-13/h4-12,21H,1-3H3
InChIKeyRGXQSTAXYTZFAH-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.85
Rot. Bonds4

About 2-[2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-2-yl]-N-methylaniline

2-[2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-2-yl]-N-methylaniline (PubChem CID 2326905) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-[2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-2-yl]-N-methylaniline.

Molecular Properties

Compound Name2-[2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-2-yl]-N-methylaniline
PubChem CID2326905
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name2-[2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-2-yl]-N-methylaniline
SMILESCNc1ccccc1C(C)(C)c1cc(-c2ccc(F)cc2)no1
InChIInChI=1S/C19H19FN2O/c1-19(2,15-6-4-5-7-16(15)21-3)18-12-17(22-23-18)13-8-10-14(20)11-9-13/h4-12,21H,1-3H3
InChIKeyRGXQSTAXYTZFAH-UHFFFAOYSA-N
XLogP4.85
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-2-yl]-N-methylaniline?
The IUPAC name of 2-[2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-2-yl]-N-methylaniline (CID 2326905) is 2-[2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-2-yl]-N-methylaniline.
What is the SMILES notation for 2-[2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-2-yl]-N-methylaniline?
The canonical SMILES for 2-[2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-2-yl]-N-methylaniline is CNc1ccccc1C(C)(C)c1cc(-c2ccc(F)cc2)no1.
What is the InChIKey of 2-[2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-2-yl]-N-methylaniline?
The InChIKey is RGXQSTAXYTZFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-19(2,15-6-4-5-7-16(15)21-3)18-12-17(22-23-18)13-8-10-14(20)11-9-13/h4-12,21H,1-3H3.
What are the key properties of 2-[2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-2-yl]-N-methylaniline?
2-[2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-2-yl]-N-methylaniline has a molecular weight of 310.37 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-2-yl]-N-methylaniline is sourced from PubChem (CID 2326905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).