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

C17H21FN2O3 — CID 70547203

IUPAC2-fluoro-6-methoxy-N-[3-(3-methylpentyl)-1,2-oxazol-5-yl]benzamide
SMILESCCC(C)CCc1cc(NC(=O)c2c(F)cccc2OC)on1
InChIInChI=1S/C17H21FN2O3/c1-4-11(2)8-9-12-10-15(23-20-12)19-17(21)16-13(18)6-5-7-14(16)22-3/h5-7,10-11H,4,8-9H2,1-3H3,(H,19,21)
InChIKeyDYJVQAXCHHOWKM-UHFFFAOYSA-N
MW320.36 g/mol
LogP4.05
Rot. Bonds7

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

2-fluoro-6-methoxy-N-[3-(3-methylpentyl)-1,2-oxazol-5-yl]benzamide (PubChem CID 70547203) 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-methylpentyl)-1,2-oxazol-5-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-methoxy-N-[3-(3-methylpentyl)-1,2-oxazol-5-yl]benzamide
PubChem CID70547203
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name2-fluoro-6-methoxy-N-[3-(3-methylpentyl)-1,2-oxazol-5-yl]benzamide
SMILESCCC(C)CCc1cc(NC(=O)c2c(F)cccc2OC)on1
InChIInChI=1S/C17H21FN2O3/c1-4-11(2)8-9-12-10-15(23-20-12)19-17(21)16-13(18)6-5-7-14(16)22-3/h5-7,10-11H,4,8-9H2,1-3H3,(H,19,21)
InChIKeyDYJVQAXCHHOWKM-UHFFFAOYSA-N
XLogP4.05
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 54.05
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-methylpentyl)-1,2-oxazol-5-yl]benzamide?
The IUPAC name of 2-fluoro-6-methoxy-N-[3-(3-methylpentyl)-1,2-oxazol-5-yl]benzamide (CID 70547203) is 2-fluoro-6-methoxy-N-[3-(3-methylpentyl)-1,2-oxazol-5-yl]benzamide.
What is the SMILES notation for 2-fluoro-6-methoxy-N-[3-(3-methylpentyl)-1,2-oxazol-5-yl]benzamide?
The canonical SMILES for 2-fluoro-6-methoxy-N-[3-(3-methylpentyl)-1,2-oxazol-5-yl]benzamide is CCC(C)CCc1cc(NC(=O)c2c(F)cccc2OC)on1.
What is the InChIKey of 2-fluoro-6-methoxy-N-[3-(3-methylpentyl)-1,2-oxazol-5-yl]benzamide?
The InChIKey is DYJVQAXCHHOWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-4-11(2)8-9-12-10-15(23-20-12)19-17(21)16-13(18)6-5-7-14(16)22-3/h5-7,10-11H,4,8-9H2,1-3H3,(H,19,21).
What are the key properties of 2-fluoro-6-methoxy-N-[3-(3-methylpentyl)-1,2-oxazol-5-yl]benzamide?
2-fluoro-6-methoxy-N-[3-(3-methylpentyl)-1,2-oxazol-5-yl]benzamide has a molecular weight of 320.36 g/mol, XLogP of 4.05, 7 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-methylpentyl)-1,2-oxazol-5-yl]benzamide is sourced from PubChem (CID 70547203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).