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

C14H15F3N4O2 — CID 51107856

IUPAC1-[[4-(dimethylamino)phenyl]methyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea
SMILESCN(C)c1ccc(CNC(=O)Nc2cc(C(F)(F)F)no2)cc1
InChIInChI=1S/C14H15F3N4O2/c1-21(2)10-5-3-9(4-6-10)8-18-13(22)19-12-7-11(20-23-12)14(15,16)17/h3-7H,8H2,1-2H3,(H2,18,19,22)
InChIKeyHZODVMIABAKNBK-UHFFFAOYSA-N
MW328.29 g/mol
LogP3.08
Rot. Bonds4

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

1-[[4-(dimethylamino)phenyl]methyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea (PubChem CID 51107856) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)phenyl]methyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea.

Molecular Properties

Compound Name1-[[4-(dimethylamino)phenyl]methyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea
PubChem CID51107856
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Name1-[[4-(dimethylamino)phenyl]methyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea
SMILESCN(C)c1ccc(CNC(=O)Nc2cc(C(F)(F)F)no2)cc1
InChIInChI=1S/C14H15F3N4O2/c1-21(2)10-5-3-9(4-6-10)8-18-13(22)19-12-7-11(20-23-12)14(15,16)17/h3-7H,8H2,1-2H3,(H2,18,19,22)
InChIKeyHZODVMIABAKNBK-UHFFFAOYSA-N
XLogP3.08
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(dimethylamino)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 38949105
N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoroacetamide
CID 62489903
4-[[[4-(dimethylamino)phenyl]carbamoylamino]methyl]benzoic acid
CID 108894779
1-[(4-chlorophenyl)methyl]-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 38949051
1-(4-bromo-2-fluorophenyl)-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 51290448
1-(3-chlorophenyl)-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 27869113
methyl 3-[[4-(dimethylamino)phenyl]methylcarbamoylamino]-4-fluorobenzoate
CID 86994013
1-[[4-(dimethylamino)phenyl]methyl]-3-prop-2-enylurea
CID 38949005
1-butyl-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 38948989
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 18101746
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-ethylphenyl)urea
CID 143052561
methyl 2-[[4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]benzoyl]amino]acetate
CID 47033100

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)phenyl]methyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea?
The IUPAC name of 1-[[4-(dimethylamino)phenyl]methyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea (CID 51107856) is 1-[[4-(dimethylamino)phenyl]methyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea.
What is the SMILES notation for 1-[[4-(dimethylamino)phenyl]methyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea?
The canonical SMILES for 1-[[4-(dimethylamino)phenyl]methyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea is CN(C)c1ccc(CNC(=O)Nc2cc(C(F)(F)F)no2)cc1.
What is the InChIKey of 1-[[4-(dimethylamino)phenyl]methyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea?
The InChIKey is HZODVMIABAKNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c1-21(2)10-5-3-9(4-6-10)8-18-13(22)19-12-7-11(20-23-12)14(15,16)17/h3-7H,8H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-[[4-(dimethylamino)phenyl]methyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea?
1-[[4-(dimethylamino)phenyl]methyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea has a molecular weight of 328.29 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)phenyl]methyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea is sourced from PubChem (CID 51107856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).