1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-fluorophenyl)methyl]urea

C13H14FN3O2 — CID 47480737

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-fluorophenyl)methyl]urea
SMILESCc1noc(C)c1NC(=O)NCc1ccccc1F
InChIInChI=1S/C13H14FN3O2/c1-8-12(9(2)19-17-8)16-13(18)15-7-10-5-3-4-6-11(10)14/h3-6H,7H2,1-2H3,(H2,15,16,18)
InChIKeyCTKLJBVTWVBSTK-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.75
Rot. Bonds3

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

1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-fluorophenyl)methyl]urea (PubChem CID 47480737) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-fluorophenyl)methyl]urea
PubChem CID47480737
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-fluorophenyl)methyl]urea
SMILESCc1noc(C)c1NC(=O)NCc1ccccc1F
InChIInChI=1S/C13H14FN3O2/c1-8-12(9(2)19-17-8)16-13(18)15-7-10-5-3-4-6-11(10)14/h3-6H,7H2,1-2H3,(H2,15,16,18)
InChIKeyCTKLJBVTWVBSTK-UHFFFAOYSA-N
XLogP2.75
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-methoxyphenyl)methyl]urea
CID 75462467
1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea
CID 47133130
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 47862975
1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea
CID 108897575
1-[(2,6-difluorophenyl)methyl]-3-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]urea
CID 141295972
1-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
CID 2738946
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 52793571
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-[(2-fluorophenyl)methyl]benzamide
CID 51121696
1-[(3,4-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
CID 52793572
1-[(2-fluorophenyl)methyl]-3-(2-hydroxy-4-methylphenyl)urea
CID 108897572
1-(3-chloro-2,6-diethylphenyl)-3-[(2-fluorophenyl)methyl]urea
CID 52593738
N'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946276

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-fluorophenyl)methyl]urea?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-fluorophenyl)methyl]urea (CID 47480737) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-fluorophenyl)methyl]urea is Cc1noc(C)c1NC(=O)NCc1ccccc1F.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-fluorophenyl)methyl]urea?
The InChIKey is CTKLJBVTWVBSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-8-12(9(2)19-17-8)16-13(18)15-7-10-5-3-4-6-11(10)14/h3-6H,7H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-fluorophenyl)methyl]urea?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-fluorophenyl)methyl]urea has a molecular weight of 263.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-fluorophenyl)methyl]urea is sourced from PubChem (CID 47480737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).