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

C15H12F3N5O2 — CID 95904873

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]urea
SMILESCc1cc(NC(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)no1
InChIInChI=1S/C15H12F3N5O2/c1-9-5-13(22-25-9)21-14(24)20-11-7-19-23(8-11)12-4-2-3-10(6-12)15(16,17)18/h2-8H,1H3,(H2,20,21,22,24)
InChIKeyORODSXLFPFKNOE-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.83
Rot. Bonds3

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

1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]urea (PubChem CID 95904873) has the molecular formula C15H12F3N5O2 and a molecular weight of 351.29 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]urea
PubChem CID95904873
Molecular FormulaC15H12F3N5O2
Molecular Weight351.29 g/mol
Exact Mass351.09
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]urea
SMILESCc1cc(NC(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)no1
InChIInChI=1S/C15H12F3N5O2/c1-9-5-13(22-25-9)21-14(24)20-11-7-19-23(8-11)12-4-2-3-10(6-12)15(16,17)18/h2-8H,1H3,(H2,20,21,22,24)
InChIKeyORODSXLFPFKNOE-UHFFFAOYSA-N
XLogP3.83
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 978129
1-(2-hydroxyethyl)-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]urea
CID 111458949
1-N'-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108983378
2-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopentane-1-carboxamide
CID 110014624
N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 56790114
1-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 47264322
1-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122084742
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylacetamide
CID 24979159
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109050141
N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119785591
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 109009780
5-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 162542331

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]urea (CID 95904873) is 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]urea is Cc1cc(NC(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]urea?
The InChIKey is ORODSXLFPFKNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O2/c1-9-5-13(22-25-9)21-14(24)20-11-7-19-23(8-11)12-4-2-3-10(6-12)15(16,17)18/h2-8H,1H3,(H2,20,21,22,24).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]urea has a molecular weight of 351.29 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]urea is sourced from PubChem (CID 95904873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).