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

C13H12F3N3O2 — CID 167858306

IUPAC1-methyl-3-(1,2-oxazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccon1
InChIInChI=1S/C13H12F3N3O2/c1-19(12(20)17-11-5-6-21-18-11)8-9-3-2-4-10(7-9)13(14,15)16/h2-7H,8H2,1H3,(H,17,18,20)
InChIKeyRNNDCLLICZGZBF-UHFFFAOYSA-N
MW299.25 g/mol
LogP3.36
Rot. Bonds3

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

1-methyl-3-(1,2-oxazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 167858306) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 1-methyl-3-(1,2-oxazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-methyl-3-(1,2-oxazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea
PubChem CID167858306
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name1-methyl-3-(1,2-oxazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccon1
InChIInChI=1S/C13H12F3N3O2/c1-19(12(20)17-11-5-6-21-18-11)8-9-3-2-4-10(7-9)13(14,15)16/h2-7H,8H2,1H3,(H,17,18,20)
InChIKeyRNNDCLLICZGZBF-UHFFFAOYSA-N
XLogP3.36
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(1H-pyrazol-4-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 47071993
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 16596009
3-(1-ethyl-1,2,4-triazol-3-yl)-1-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 46986444
1-methyl-3-(1,2-oxazol-3-yl)-1-prop-2-enylurea
CID 130684719
1-[(4-fluorophenyl)methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 51274161
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
1-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 33253657
1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 125435794
1-methyl-3-(2-oxopyrrolidin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 122569454
2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide
CID 4138130
3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119737530
4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119297081

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,2-oxazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-methyl-3-(1,2-oxazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea (CID 167858306) is 1-methyl-3-(1,2-oxazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-methyl-3-(1,2-oxazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-methyl-3-(1,2-oxazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea is CN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccon1.
What is the InChIKey of 1-methyl-3-(1,2-oxazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is RNNDCLLICZGZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-19(12(20)17-11-5-6-21-18-11)8-9-3-2-4-10(7-9)13(14,15)16/h2-7H,8H2,1H3,(H,17,18,20).
What are the key properties of 1-methyl-3-(1,2-oxazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea?
1-methyl-3-(1,2-oxazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 299.25 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,2-oxazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 167858306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).