ethyl 4-phenyl-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-3-carboxylate

C20H15F3N2O4 — CID 8832124

IUPACethyl 4-phenyl-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(NC(=O)c2ccc(C(F)(F)F)cc2)c1-c1ccccc1
InChIInChI=1S/C20H15F3N2O4/c1-2-28-19(27)16-15(12-6-4-3-5-7-12)18(29-25-16)24-17(26)13-8-10-14(11-9-13)20(21,22)23/h3-11H,2H2,1H3,(H,24,26)
InChIKeyYXOSMNKNFIAFMN-UHFFFAOYSA-N
MW404.34 g/mol
LogP4.79
Rot. Bonds5

About ethyl 4-phenyl-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-3-carboxylate

ethyl 4-phenyl-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-3-carboxylate (PubChem CID 8832124) has the molecular formula C20H15F3N2O4 and a molecular weight of 404.34 g/mol. Its IUPAC name is ethyl 4-phenyl-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-phenyl-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-3-carboxylate
PubChem CID8832124
Molecular FormulaC20H15F3N2O4
Molecular Weight404.34 g/mol
Exact Mass404.10
IUPAC Nameethyl 4-phenyl-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(NC(=O)c2ccc(C(F)(F)F)cc2)c1-c1ccccc1
InChIInChI=1S/C20H15F3N2O4/c1-2-28-19(27)16-15(12-6-4-3-5-7-12)18(29-25-16)24-17(26)13-8-10-14(11-9-13)20(21,22)23/h3-11H,2H2,1H3,(H,24,26)
InChIKeyYXOSMNKNFIAFMN-UHFFFAOYSA-N
XLogP4.79
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.34
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-phenyl-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 4-phenyl-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-3-carboxylate (CID 8832124) is ethyl 4-phenyl-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 4-phenyl-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 4-phenyl-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-3-carboxylate is CCOC(=O)c1noc(NC(=O)c2ccc(C(F)(F)F)cc2)c1-c1ccccc1.
What is the InChIKey of ethyl 4-phenyl-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-3-carboxylate?
The InChIKey is YXOSMNKNFIAFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O4/c1-2-28-19(27)16-15(12-6-4-3-5-7-12)18(29-25-16)24-17(26)13-8-10-14(11-9-13)20(21,22)23/h3-11H,2H2,1H3,(H,24,26).
What are the key properties of ethyl 4-phenyl-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-3-carboxylate?
ethyl 4-phenyl-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-3-carboxylate has a molecular weight of 404.34 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-phenyl-5-[[4-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 8832124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).