ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate

C19H18F5N3O5 — CID 11351713

IUPACethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(NC(=O)C(CC)NC(=O)Cc2cc(F)cc(F)c2)nc1C(F)(F)F
InChIInChI=1S/C19H18F5N3O5/c1-3-12(25-13(28)7-9-5-10(20)8-11(21)6-9)16(29)27-18-26-15(19(22,23)24)14(32-18)17(30)31-4-2/h5-6,8,12H,3-4,7H2,1-2H3,(H,25,28)(H,26,27,29)
InChIKeyULOWHBJIGCIRSE-UHFFFAOYSA-N
MW463.36 g/mol
LogP3.22
Rot. Bonds8

About ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate

ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate (PubChem CID 11351713) has the molecular formula C19H18F5N3O5 and a molecular weight of 463.36 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
PubChem CID11351713
Molecular FormulaC19H18F5N3O5
Molecular Weight463.36 g/mol
Exact Mass463.12
IUPAC Nameethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(NC(=O)C(CC)NC(=O)Cc2cc(F)cc(F)c2)nc1C(F)(F)F
InChIInChI=1S/C19H18F5N3O5/c1-3-12(25-13(28)7-9-5-10(20)8-11(21)6-9)16(29)27-18-26-15(19(22,23)24)14(32-18)17(30)31-4-2/h5-6,8,12H,3-4,7H2,1-2H3,(H,25,28)(H,26,27,29)
InChIKeyULOWHBJIGCIRSE-UHFFFAOYSA-N
XLogP3.22
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate (CID 11351713) is ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(NC(=O)C(CC)NC(=O)Cc2cc(F)cc(F)c2)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The InChIKey is ULOWHBJIGCIRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F5N3O5/c1-3-12(25-13(28)7-9-5-10(20)8-11(21)6-9)16(29)27-18-26-15(19(22,23)24)14(32-18)17(30)31-4-2/h5-6,8,12H,3-4,7H2,1-2H3,(H,25,28)(H,26,27,29).
What are the key properties of ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate has a molecular weight of 463.36 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 11351713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).