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

C20H19FN2O4 — CID 16672592

IUPAC5-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2ocnc2C(=O)NCCc2cccc(F)c2)cc1OC
InChIInChI=1S/C20H19FN2O4/c1-25-16-7-6-14(11-17(16)26-2)19-18(23-12-27-19)20(24)22-9-8-13-4-3-5-15(21)10-13/h3-7,10-12H,8-9H2,1-2H3,(H,22,24)
InChIKeyUCHHSJBIVQWDBL-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.47
Rot. Bonds7

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

5-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 16672592) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID16672592
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name5-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2ocnc2C(=O)NCCc2cccc(F)c2)cc1OC
InChIInChI=1S/C20H19FN2O4/c1-25-16-7-6-14(11-17(16)26-2)19-18(23-12-27-19)20(24)22-9-8-13-4-3-5-15(21)10-13/h3-7,10-12H,8-9H2,1-2H3,(H,22,24)
InChIKeyUCHHSJBIVQWDBL-UHFFFAOYSA-N
XLogP3.47
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide (CID 16672592) is 5-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide is COc1ccc(-c2ocnc2C(=O)NCCc2cccc(F)c2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is UCHHSJBIVQWDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-25-16-7-6-14(11-17(16)26-2)19-18(23-12-27-19)20(24)22-9-8-13-4-3-5-15(21)10-13/h3-7,10-12H,8-9H2,1-2H3,(H,22,24).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide?
5-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 16672592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).