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

C17H21FN2O3 — CID 13229299

IUPAC2-fluoro-6-methoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide
SMILESCCC(C)(CC)c1cc(NC(=O)c2c(F)cccc2OC)on1
InChIInChI=1S/C17H21FN2O3/c1-5-17(3,6-2)13-10-14(23-20-13)19-16(21)15-11(18)8-7-9-12(15)22-4/h7-10H,5-6H2,1-4H3,(H,19,21)
InChIKeyOTUDNJHNWMOCCK-UHFFFAOYSA-N
MW320.36 g/mol
LogP4.15
Rot. Bonds6

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

2-fluoro-6-methoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide (PubChem CID 13229299) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-methoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide
PubChem CID13229299
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name2-fluoro-6-methoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide
SMILESCCC(C)(CC)c1cc(NC(=O)c2c(F)cccc2OC)on1
InChIInChI=1S/C17H21FN2O3/c1-5-17(3,6-2)13-10-14(23-20-13)19-16(21)15-11(18)8-7-9-12(15)22-4/h7-10H,5-6H2,1-4H3,(H,19,21)
InChIKeyOTUDNJHNWMOCCK-UHFFFAOYSA-N
XLogP4.15
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide?
The IUPAC name of 2-fluoro-6-methoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide (CID 13229299) is 2-fluoro-6-methoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide.
What is the SMILES notation for 2-fluoro-6-methoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide?
The canonical SMILES for 2-fluoro-6-methoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide is CCC(C)(CC)c1cc(NC(=O)c2c(F)cccc2OC)on1.
What is the InChIKey of 2-fluoro-6-methoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide?
The InChIKey is OTUDNJHNWMOCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-5-17(3,6-2)13-10-14(23-20-13)19-16(21)15-11(18)8-7-9-12(15)22-4/h7-10H,5-6H2,1-4H3,(H,19,21).
What are the key properties of 2-fluoro-6-methoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide?
2-fluoro-6-methoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide has a molecular weight of 320.36 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide is sourced from PubChem (CID 13229299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).