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

C19H15F3N2O3 — CID 52949384

IUPACN-(3,5-dimethylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cnc(-c3ccc(OC(F)(F)F)cc3)o2)c1
InChIInChI=1S/C19H15F3N2O3/c1-11-7-12(2)9-14(8-11)24-17(25)16-10-23-18(26-16)13-3-5-15(6-4-13)27-19(20,21)22/h3-10H,1-2H3,(H,24,25)
InChIKeyYXVUTFYHKBJJGL-UHFFFAOYSA-N
MW376.33 g/mol
LogP5.11
Rot. Bonds4

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

N-(3,5-dimethylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-5-carboxamide (PubChem CID 52949384) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-5-carboxamide
PubChem CID52949384
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC NameN-(3,5-dimethylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cnc(-c3ccc(OC(F)(F)F)cc3)o2)c1
InChIInChI=1S/C19H15F3N2O3/c1-11-7-12(2)9-14(8-11)24-17(25)16-10-23-18(26-16)13-3-5-15(6-4-13)27-19(20,21)22/h3-10H,1-2H3,(H,24,25)
InChIKeyYXVUTFYHKBJJGL-UHFFFAOYSA-N
XLogP5.11
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.33
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-5-carboxamide (CID 52949384) is N-(3,5-dimethylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-5-carboxamide is Cc1cc(C)cc(NC(=O)c2cnc(-c3ccc(OC(F)(F)F)cc3)o2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-5-carboxamide?
The InChIKey is YXVUTFYHKBJJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c1-11-7-12(2)9-14(8-11)24-17(25)16-10-23-18(26-16)13-3-5-15(6-4-13)27-19(20,21)22/h3-10H,1-2H3,(H,24,25).
What are the key properties of N-(3,5-dimethylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-5-carboxamide?
N-(3,5-dimethylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-5-carboxamide has a molecular weight of 376.33 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 52949384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).