(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-fluoroanilino)benzoate

C18H15FN2O3 — CID 18148327

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-fluoroanilino)benzoate
SMILESCc1cc(COC(=O)c2ccccc2Nc2ccc(F)cc2)on1
InChIInChI=1S/C18H15FN2O3/c1-12-10-15(24-21-12)11-23-18(22)16-4-2-3-5-17(16)20-14-8-6-13(19)7-9-14/h2-10,20H,11H2,1H3
InChIKeyGPHREFHSPPZNNY-UHFFFAOYSA-N
MW326.33 g/mol
LogP4.22
Rot. Bonds5

About (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-fluoroanilino)benzoate

(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-fluoroanilino)benzoate (PubChem CID 18148327) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-fluoroanilino)benzoate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-fluoroanilino)benzoate
PubChem CID18148327
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-fluoroanilino)benzoate
SMILESCc1cc(COC(=O)c2ccccc2Nc2ccc(F)cc2)on1
InChIInChI=1S/C18H15FN2O3/c1-12-10-15(24-21-12)11-23-18(22)16-4-2-3-5-17(16)20-14-8-6-13(19)7-9-14/h2-10,20H,11H2,1H3
InChIKeyGPHREFHSPPZNNY-UHFFFAOYSA-N
XLogP4.22
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-fluoroanilino)benzoate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-fluoroanilino)benzoate (CID 18148327) is (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-fluoroanilino)benzoate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-fluoroanilino)benzoate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-fluoroanilino)benzoate is Cc1cc(COC(=O)c2ccccc2Nc2ccc(F)cc2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-fluoroanilino)benzoate?
The InChIKey is GPHREFHSPPZNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-12-10-15(24-21-12)11-23-18(22)16-4-2-3-5-17(16)20-14-8-6-13(19)7-9-14/h2-10,20H,11H2,1H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-fluoroanilino)benzoate?
(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-fluoroanilino)benzoate has a molecular weight of 326.33 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl 2-(4-fluoroanilino)benzoate is sourced from PubChem (CID 18148327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).