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

C17H13F3N4O2 — CID 127043910

IUPAC1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESNc1cc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)on1
InChIInChI=1S/C17H13F3N4O2/c18-17(19,20)11-2-1-3-13(8-11)23-16(25)22-12-6-4-10(5-7-12)14-9-15(21)24-26-14/h1-9H,(H2,21,24)(H2,22,23,25)
InChIKeyYLMKJWXHWSCGQF-UHFFFAOYSA-N
MW362.31 g/mol
LogP4.59
Rot. Bonds3

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

1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 127043910) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID127043910
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESNc1cc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)on1
InChIInChI=1S/C17H13F3N4O2/c18-17(19,20)11-2-1-3-13(8-11)23-16(25)22-12-6-4-10(5-7-12)14-9-15(21)24-26-14/h1-9H,(H2,21,24)(H2,22,23,25)
InChIKeyYLMKJWXHWSCGQF-UHFFFAOYSA-N
XLogP4.59
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]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-(3-amino-1,2-oxazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 127043910) is 1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea is Nc1cc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)on1.
What is the InChIKey of 1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is YLMKJWXHWSCGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c18-17(19,20)11-2-1-3-13(8-11)23-16(25)22-12-6-4-10(5-7-12)14-9-15(21)24-26-14/h1-9H,(H2,21,24)(H2,22,23,25).
What are the key properties of 1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 362.31 g/mol, XLogP of 4.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-1,2-oxazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 127043910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).