1-[4-ethoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea

C15H12F3N5O3S — CID 69234137

IUPAC1-[4-ethoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
SMILESCCOc1ccc(NC(=O)Nc2nnc(C(F)(F)F)s2)c(-c2ncco2)c1
InChIInChI=1S/C15H12F3N5O3S/c1-2-25-8-3-4-10(9(7-8)11-19-5-6-26-11)20-13(24)21-14-23-22-12(27-14)15(16,17)18/h3-7H,2H2,1H3,(H2,20,21,23,24)
InChIKeyMZMNCWSPXFTIFR-UHFFFAOYSA-N
MW399.35 g/mol
LogP4.25
Rot. Bonds5

About 1-[4-ethoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea

1-[4-ethoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 69234137) has the molecular formula C15H12F3N5O3S and a molecular weight of 399.35 g/mol. Its IUPAC name is 1-[4-ethoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-[4-ethoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID69234137
Molecular FormulaC15H12F3N5O3S
Molecular Weight399.35 g/mol
Exact Mass399.06
IUPAC Name1-[4-ethoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
SMILESCCOc1ccc(NC(=O)Nc2nnc(C(F)(F)F)s2)c(-c2ncco2)c1
InChIInChI=1S/C15H12F3N5O3S/c1-2-25-8-3-4-10(9(7-8)11-19-5-6-26-11)20-13(24)21-14-23-22-12(27-14)15(16,17)18/h3-7H,2H2,1H3,(H2,20,21,23,24)
InChIKeyMZMNCWSPXFTIFR-UHFFFAOYSA-N
XLogP4.25
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.35
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-ethoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea 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 1-[4-ethoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-[4-ethoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea (CID 69234137) is 1-[4-ethoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-[4-ethoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-[4-ethoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea is CCOc1ccc(NC(=O)Nc2nnc(C(F)(F)F)s2)c(-c2ncco2)c1.
What is the InChIKey of 1-[4-ethoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is MZMNCWSPXFTIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O3S/c1-2-25-8-3-4-10(9(7-8)11-19-5-6-26-11)20-13(24)21-14-23-22-12(27-14)15(16,17)18/h3-7H,2H2,1H3,(H2,20,21,23,24).
What are the key properties of 1-[4-ethoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
1-[4-ethoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 399.35 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 69234137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).