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

C19H17FN2O4 — CID 110402656

IUPACN-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-fluorophenyl)acetamide
SMILESCOc1ccc(-c2cnoc2NC(=O)Cc2ccc(F)cc2)cc1OC
InChIInChI=1S/C19H17FN2O4/c1-24-16-8-5-13(10-17(16)25-2)15-11-21-26-19(15)22-18(23)9-12-3-6-14(20)7-4-12/h3-8,10-11H,9H2,1-2H3,(H,22,23)
InChIKeyWDQNGNHYKAAHMR-UHFFFAOYSA-N
MW356.35 g/mol
LogP3.68
Rot. Bonds6

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

N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 110402656) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-fluorophenyl)acetamide
PubChem CID110402656
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-fluorophenyl)acetamide
SMILESCOc1ccc(-c2cnoc2NC(=O)Cc2ccc(F)cc2)cc1OC
InChIInChI=1S/C19H17FN2O4/c1-24-16-8-5-13(10-17(16)25-2)15-11-21-26-19(15)22-18(23)9-12-3-6-14(20)7-4-12/h3-8,10-11H,9H2,1-2H3,(H,22,23)
InChIKeyWDQNGNHYKAAHMR-UHFFFAOYSA-N
XLogP3.68
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 53.68
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-(4-fluorophenyl)acetamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-fluorophenyl)acetamide (CID 110402656) is N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-fluorophenyl)acetamide is COc1ccc(-c2cnoc2NC(=O)Cc2ccc(F)cc2)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is WDQNGNHYKAAHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4/c1-24-16-8-5-13(10-17(16)25-2)15-11-21-26-19(15)22-18(23)9-12-3-6-14(20)7-4-12/h3-8,10-11H,9H2,1-2H3,(H,22,23).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-fluorophenyl)acetamide?
N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 356.35 g/mol, XLogP of 3.68, 6 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-(4-fluorophenyl)acetamide is sourced from PubChem (CID 110402656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).