N-(3-ethoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C14H13F3N2O3 — CID 2726932

IUPACN-(3-ethoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCCOc1cccc(NC(=O)c2nc(C)oc2C(F)(F)F)c1
InChIInChI=1S/C14H13F3N2O3/c1-3-21-10-6-4-5-9(7-10)19-13(20)11-12(14(15,16)17)22-8(2)18-11/h4-7H,3H2,1-2H3,(H,19,20)
InChIKeyCBROAFABHJTIMA-UHFFFAOYSA-N
MW314.26 g/mol
LogP3.65
Rot. Bonds4

About N-(3-ethoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-(3-ethoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 2726932) has the molecular formula C14H13F3N2O3 and a molecular weight of 314.26 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID2726932
Molecular FormulaC14H13F3N2O3
Molecular Weight314.26 g/mol
Exact Mass314.09
IUPAC NameN-(3-ethoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCCOc1cccc(NC(=O)c2nc(C)oc2C(F)(F)F)c1
InChIInChI=1S/C14H13F3N2O3/c1-3-21-10-6-4-5-9(7-10)19-13(20)11-12(14(15,16)17)22-8(2)18-11/h4-7H,3H2,1-2H3,(H,19,20)
InChIKeyCBROAFABHJTIMA-UHFFFAOYSA-N
XLogP3.65
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-ethoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 2726932) is N-(3-ethoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-ethoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is CCOc1cccc(NC(=O)c2nc(C)oc2C(F)(F)F)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is CBROAFABHJTIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3/c1-3-21-10-6-4-5-9(7-10)19-13(20)11-12(14(15,16)17)22-8(2)18-11/h4-7H,3H2,1-2H3,(H,19,20).
What are the key properties of N-(3-ethoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-(3-ethoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 314.26 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 2726932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).