N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide

C18H15FN2O4 — CID 110402641

IUPACN-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide
SMILESCOc1ccc(-c2cnoc2NC(=O)c2ccccc2F)cc1OC
InChIInChI=1S/C18H15FN2O4/c1-23-15-8-7-11(9-16(15)24-2)13-10-20-25-18(13)21-17(22)12-5-3-4-6-14(12)19/h3-10H,1-2H3,(H,21,22)
InChIKeyXLGISRFTLUVSSJ-UHFFFAOYSA-N
MW342.33 g/mol
LogP3.75
Rot. Bonds5

About N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide

N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide (PubChem CID 110402641) has the molecular formula C18H15FN2O4 and a molecular weight of 342.33 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide
PubChem CID110402641
Molecular FormulaC18H15FN2O4
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide
SMILESCOc1ccc(-c2cnoc2NC(=O)c2ccccc2F)cc1OC
InChIInChI=1S/C18H15FN2O4/c1-23-15-8-7-11(9-16(15)24-2)13-10-20-25-18(13)21-17(22)12-5-3-4-6-14(12)19/h3-10H,1-2H3,(H,21,22)
InChIKeyXLGISRFTLUVSSJ-UHFFFAOYSA-N
XLogP3.75
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide (CID 110402641) is N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide is COc1ccc(-c2cnoc2NC(=O)c2ccccc2F)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide?
The InChIKey is XLGISRFTLUVSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4/c1-23-15-8-7-11(9-16(15)24-2)13-10-20-25-18(13)21-17(22)12-5-3-4-6-14(12)19/h3-10H,1-2H3,(H,21,22).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide?
N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide has a molecular weight of 342.33 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide is sourced from PubChem (CID 110402641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).