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

C11H9F3N4O2 — CID 2726900

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)-3-pyridinyl]urea
SMILESCc1cc(NC(=O)Nc2cnccc2C(F)(F)F)no1
InChIInChI=1S/C11H9F3N4O2/c1-6-4-9(18-20-6)17-10(19)16-8-5-15-3-2-7(8)11(12,13)14/h2-5H,1H3,(H2,16,17,18,19)
InChIKeyVUVPTCGWIYQZTA-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.04
Rot. Bonds2

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

1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)-3-pyridinyl]urea (PubChem CID 2726900) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)-3-pyridinyl]urea
PubChem CID2726900
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)-3-pyridinyl]urea
SMILESCc1cc(NC(=O)Nc2cnccc2C(F)(F)F)no1
InChIInChI=1S/C11H9F3N4O2/c1-6-4-9(18-20-6)17-10(19)16-8-5-15-3-2-7(8)11(12,13)14/h2-5H,1H3,(H2,16,17,18,19)
InChIKeyVUVPTCGWIYQZTA-UHFFFAOYSA-N
XLogP3.04
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)-3-pyridinyl]urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)-3-pyridinyl]urea (CID 2726900) is 1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)-3-pyridinyl]urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)-3-pyridinyl]urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)-3-pyridinyl]urea is Cc1cc(NC(=O)Nc2cnccc2C(F)(F)F)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)-3-pyridinyl]urea?
The InChIKey is VUVPTCGWIYQZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c1-6-4-9(18-20-6)17-10(19)16-8-5-15-3-2-7(8)11(12,13)14/h2-5H,1H3,(H2,16,17,18,19).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)-3-pyridinyl]urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)-3-pyridinyl]urea has a molecular weight of 286.21 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)-3-pyridinyl]urea is sourced from PubChem (CID 2726900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).