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

C14H10F3N5O3S — CID 11372555

IUPAC1-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
SMILESCOc1ccc(NC(=O)Nc2nnc(C(F)(F)F)s2)c(-c2ncco2)c1
InChIInChI=1S/C14H10F3N5O3S/c1-24-7-2-3-9(8(6-7)10-18-4-5-25-10)19-12(23)20-13-22-21-11(26-13)14(15,16)17/h2-6H,1H3,(H2,19,20,22,23)
InChIKeyBNYRCDUHJXSIKD-UHFFFAOYSA-N
MW385.33 g/mol
LogP3.86
Rot. Bonds4

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

1-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 11372555) has the molecular formula C14H10F3N5O3S and a molecular weight of 385.33 g/mol. Its IUPAC name is 1-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID11372555
Molecular FormulaC14H10F3N5O3S
Molecular Weight385.33 g/mol
Exact Mass385.05
IUPAC Name1-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
SMILESCOc1ccc(NC(=O)Nc2nnc(C(F)(F)F)s2)c(-c2ncco2)c1
InChIInChI=1S/C14H10F3N5O3S/c1-24-7-2-3-9(8(6-7)10-18-4-5-25-10)19-12(23)20-13-22-21-11(26-13)14(15,16)17/h2-6H,1H3,(H2,19,20,22,23)
InChIKeyBNYRCDUHJXSIKD-UHFFFAOYSA-N
XLogP3.86
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.33
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-methoxy-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-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea (CID 11372555) is 1-[4-methoxy-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-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea is COc1ccc(NC(=O)Nc2nnc(C(F)(F)F)s2)c(-c2ncco2)c1.
What is the InChIKey of 1-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is BNYRCDUHJXSIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O3S/c1-24-7-2-3-9(8(6-7)10-18-4-5-25-10)19-12(23)20-13-22-21-11(26-13)14(15,16)17/h2-6H,1H3,(H2,19,20,22,23).
What are the key properties of 1-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
1-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 385.33 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 11372555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).