2,5-dimethyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide

C13H11F3N2O3 — CID 53195142

IUPAC2,5-dimethyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(OC(F)(F)F)c2)c(C)o1
InChIInChI=1S/C13H11F3N2O3/c1-7-11(17-8(2)20-7)12(19)18-9-4-3-5-10(6-9)21-13(14,15)16/h3-6H,1-2H3,(H,18,19)
InChIKeyDPLRDEMMDBZPCP-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.44
Rot. Bonds3

About 2,5-dimethyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide

2,5-dimethyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 53195142) has the molecular formula C13H11F3N2O3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID53195142
Molecular FormulaC13H11F3N2O3
Molecular Weight300.24 g/mol
Exact Mass300.07
IUPAC Name2,5-dimethyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(OC(F)(F)F)c2)c(C)o1
InChIInChI=1S/C13H11F3N2O3/c1-7-11(17-8(2)20-7)12(19)18-9-4-3-5-10(6-9)21-13(14,15)16/h3-6H,1-2H3,(H,18,19)
InChIKeyDPLRDEMMDBZPCP-UHFFFAOYSA-N
XLogP3.44
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide (CID 53195142) is 2,5-dimethyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)Nc2cccc(OC(F)(F)F)c2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is DPLRDEMMDBZPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3/c1-7-11(17-8(2)20-7)12(19)18-9-4-3-5-10(6-9)21-13(14,15)16/h3-6H,1-2H3,(H,18,19).
What are the key properties of 2,5-dimethyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide?
2,5-dimethyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 300.24 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).