3-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H19FN2O4 — CID 17095835

IUPAC3-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(C2=NOC(C(=O)NCc3ccc(F)cc3)C2)c1OC
InChIInChI=1S/C19H19FN2O4/c1-24-16-5-3-4-14(18(16)25-2)15-10-17(26-22-15)19(23)21-11-12-6-8-13(20)9-7-12/h3-9,17H,10-11H2,1-2H3,(H,21,23)
InChIKeyZIIMCVMPXLITNY-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.65
Rot. Bonds6

About 3-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 17095835) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID17095835
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name3-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(C2=NOC(C(=O)NCc3ccc(F)cc3)C2)c1OC
InChIInChI=1S/C19H19FN2O4/c1-24-16-5-3-4-14(18(16)25-2)15-10-17(26-22-15)19(23)21-11-12-6-8-13(20)9-7-12/h3-9,17H,10-11H2,1-2H3,(H,21,23)
InChIKeyZIIMCVMPXLITNY-UHFFFAOYSA-N
XLogP2.65
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 17095835) is 3-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1cccc(C2=NOC(C(=O)NCc3ccc(F)cc3)C2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is ZIIMCVMPXLITNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-24-16-5-3-4-14(18(16)25-2)15-10-17(26-22-15)19(23)21-11-12-6-8-13(20)9-7-12/h3-9,17H,10-11H2,1-2H3,(H,21,23).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17095835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).