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

C20H19FN2O3 — CID 75160732

IUPAC5-(3-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1cccc(C(C)NC(=O)c2c(C)noc2-c2cccc(F)c2)c1
InChIInChI=1S/C20H19FN2O3/c1-12(14-6-5-9-17(11-14)25-3)22-20(24)18-13(2)23-26-19(18)15-7-4-8-16(21)10-15/h4-12H,1-3H3,(H,22,24)
InChIKeyIRSZDBOIAYZIFQ-UHFFFAOYSA-N
MW354.38 g/mol
LogP4.29
Rot. Bonds5

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

5-(3-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 75160732) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID75160732
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name5-(3-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1cccc(C(C)NC(=O)c2c(C)noc2-c2cccc(F)c2)c1
InChIInChI=1S/C20H19FN2O3/c1-12(14-6-5-9-17(11-14)25-3)22-20(24)18-13(2)23-26-19(18)15-7-4-8-16(21)10-15/h4-12H,1-3H3,(H,22,24)
InChIKeyIRSZDBOIAYZIFQ-UHFFFAOYSA-N
XLogP4.29
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 54.29
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-[1-(3-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 75160732) is 5-(3-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide is COc1cccc(C(C)NC(=O)c2c(C)noc2-c2cccc(F)c2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is IRSZDBOIAYZIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-12(14-6-5-9-17(11-14)25-3)22-20(24)18-13(2)23-26-19(18)15-7-4-8-16(21)10-15/h4-12H,1-3H3,(H,22,24).
What are the key properties of 5-(3-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
5-(3-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 75160732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).