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

C12H10F3N3O2 — CID 978129

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C12H10F3N3O2/c1-7-5-10(18-20-7)17-11(19)16-9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H2,16,17,18,19)
InChIKeyIKVBVRXRCHJSEN-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.65
Rot. Bonds2

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

1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 978129) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID978129
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C12H10F3N3O2/c1-7-5-10(18-20-7)17-11(19)16-9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H2,16,17,18,19)
InChIKeyIKVBVRXRCHJSEN-UHFFFAOYSA-N
XLogP3.65
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109050141
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 109009780
1-N'-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108983378
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]urea
CID 95904873
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109093176
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
1-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylurea
CID 47129987
1-(4-bromo-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 102820650
1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 170254167
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3637081
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 46553294

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea (CID 978129) is 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea is Cc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is IKVBVRXRCHJSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c1-7-5-10(18-20-7)17-11(19)16-9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H2,16,17,18,19).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 285.23 g/mol, XLogP of 3.65, 2 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-3-yl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 978129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).