2-ethoxy-6-fluoro-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide

C18H23FN2O3 — CID 19912032

IUPAC2-ethoxy-6-fluoro-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide
SMILESCCOc1cccc(F)c1C(=O)Nc1cc(C(C)(CC)CC)no1
InChIInChI=1S/C18H23FN2O3/c1-5-18(4,6-2)14-11-15(24-21-14)20-17(22)16-12(19)9-8-10-13(16)23-7-3/h8-11H,5-7H2,1-4H3,(H,20,22)
InChIKeyGUQNFMYLKFKMCT-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.54
Rot. Bonds7

About 2-ethoxy-6-fluoro-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide

2-ethoxy-6-fluoro-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide (PubChem CID 19912032) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 2-ethoxy-6-fluoro-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-6-fluoro-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide
PubChem CID19912032
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name2-ethoxy-6-fluoro-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide
SMILESCCOc1cccc(F)c1C(=O)Nc1cc(C(C)(CC)CC)no1
InChIInChI=1S/C18H23FN2O3/c1-5-18(4,6-2)14-11-15(24-21-14)20-17(22)16-12(19)9-8-10-13(16)23-7-3/h8-11H,5-7H2,1-4H3,(H,20,22)
InChIKeyGUQNFMYLKFKMCT-UHFFFAOYSA-N
XLogP4.54
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-fluoro-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide?
The IUPAC name of 2-ethoxy-6-fluoro-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide (CID 19912032) is 2-ethoxy-6-fluoro-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide.
What is the SMILES notation for 2-ethoxy-6-fluoro-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide?
The canonical SMILES for 2-ethoxy-6-fluoro-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide is CCOc1cccc(F)c1C(=O)Nc1cc(C(C)(CC)CC)no1.
What is the InChIKey of 2-ethoxy-6-fluoro-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide?
The InChIKey is GUQNFMYLKFKMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-5-18(4,6-2)14-11-15(24-21-14)20-17(22)16-12(19)9-8-10-13(16)23-7-3/h8-11H,5-7H2,1-4H3,(H,20,22).
What are the key properties of 2-ethoxy-6-fluoro-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide?
2-ethoxy-6-fluoro-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide has a molecular weight of 334.39 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-fluoro-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide is sourced from PubChem (CID 19912032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).