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

C20H19FN2O3 — CID 46096900

IUPAC5-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2c(C)noc2-c2cccc(F)c2)cc1
InChIInChI=1S/C20H19FN2O3/c1-13-18(19(26-23-13)15-4-3-5-16(21)12-15)20(24)22-11-10-14-6-8-17(25-2)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,22,24)
InChIKeyCZPSXOBAHRNMLN-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.77
Rot. Bonds6

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

5-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 46096900) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID46096900
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name5-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2c(C)noc2-c2cccc(F)c2)cc1
InChIInChI=1S/C20H19FN2O3/c1-13-18(19(26-23-13)15-4-3-5-16(21)12-15)20(24)22-11-10-14-6-8-17(25-2)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,22,24)
InChIKeyCZPSXOBAHRNMLN-UHFFFAOYSA-N
XLogP3.77
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 46096900) is 5-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide is COc1ccc(CCNC(=O)c2c(C)noc2-c2cccc(F)c2)cc1.
What is the InChIKey of 5-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is CZPSXOBAHRNMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-13-18(19(26-23-13)15-4-3-5-16(21)12-15)20(24)22-11-10-14-6-8-17(25-2)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,22,24).
What are the key properties of 5-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
5-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46096900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).