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

C15H15F3N2O3 — CID 2726933

IUPAC2-methyl-N-(3-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(OC(C)C)c2)c(C(F)(F)F)o1
InChIInChI=1S/C15H15F3N2O3/c1-8(2)22-11-6-4-5-10(7-11)20-14(21)12-13(15(16,17)18)23-9(3)19-12/h4-8H,1-3H3,(H,20,21)
InChIKeyIRUOOBWRAJTDPR-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.04
Rot. Bonds4

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

2-methyl-N-(3-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 2726933) has the molecular formula C15H15F3N2O3 and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-methyl-N-(3-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID2726933
Molecular FormulaC15H15F3N2O3
Molecular Weight328.29 g/mol
Exact Mass328.10
IUPAC Name2-methyl-N-(3-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(OC(C)C)c2)c(C(F)(F)F)o1
InChIInChI=1S/C15H15F3N2O3/c1-8(2)22-11-6-4-5-10(7-11)20-14(21)12-13(15(16,17)18)23-9(3)19-12/h4-8H,1-3H3,(H,20,21)
InChIKeyIRUOOBWRAJTDPR-UHFFFAOYSA-N
XLogP4.04
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-methyl-N-(3-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 2726933) is 2-methyl-N-(3-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-(3-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)Nc2cccc(OC(C)C)c2)c(C(F)(F)F)o1.
What is the InChIKey of 2-methyl-N-(3-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is IRUOOBWRAJTDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3/c1-8(2)22-11-6-4-5-10(7-11)20-14(21)12-13(15(16,17)18)23-9(3)19-12/h4-8H,1-3H3,(H,20,21).
What are the key properties of 2-methyl-N-(3-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
2-methyl-N-(3-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 328.29 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 2726933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).