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

C13H12F3N3O2 — CID 119101576

IUPAC1-[(5-methyl-1,2-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCc1oncc1CNC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C13H12F3N3O2/c1-8-9(7-18-21-8)6-17-12(20)19-11-5-3-2-4-10(11)13(14,15)16/h2-5,7H,6H2,1H3,(H2,17,19,20)
InChIKeyPRXCSNLDYXEVKT-UHFFFAOYSA-N
MW299.25 g/mol
LogP3.32
Rot. Bonds3

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

1-[(5-methyl-1,2-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 119101576) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 1-[(5-methyl-1,2-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(5-methyl-1,2-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID119101576
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name1-[(5-methyl-1,2-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCc1oncc1CNC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C13H12F3N3O2/c1-8-9(7-18-21-8)6-17-12(20)19-11-5-3-2-4-10(11)13(14,15)16/h2-5,7H,6H2,1H3,(H2,17,19,20)
InChIKeyPRXCSNLDYXEVKT-UHFFFAOYSA-N
XLogP3.32
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 51046194
1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 20955623
N-[(2-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108945471
1-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 91816064
4,5-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 110860744
5-hydroxy-6-oxo-2-[2-[[2-(trifluoromethyl)phenyl]methylcarbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid
CID 135434189
N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000500
1-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122322429
1-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 91625850
1-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 119099354
1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122354189
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(5-methyl-1,2-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 119101576) is 1-[(5-methyl-1,2-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(5-methyl-1,2-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(5-methyl-1,2-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea is Cc1oncc1CNC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[(5-methyl-1,2-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is PRXCSNLDYXEVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-8-9(7-18-21-8)6-17-12(20)19-11-5-3-2-4-10(11)13(14,15)16/h2-5,7H,6H2,1H3,(H2,17,19,20).
What are the key properties of 1-[(5-methyl-1,2-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[(5-methyl-1,2-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 299.25 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 119101576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).