1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-difluorophenyl)urea

C14H15F2N3O2 — CID 735913

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-difluorophenyl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(F)cc2F)no1
InChIInChI=1S/C14H15F2N3O2/c1-14(2,3)11-7-12(19-21-11)18-13(20)17-10-5-4-8(15)6-9(10)16/h4-7H,1-3H3,(H2,17,18,19,20)
InChIKeyOXVSTMMEONNUHW-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.89
Rot. Bonds2

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-difluorophenyl)urea

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-difluorophenyl)urea (PubChem CID 735913) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-difluorophenyl)urea
PubChem CID735913
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-difluorophenyl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(F)cc2F)no1
InChIInChI=1S/C14H15F2N3O2/c1-14(2,3)11-7-12(19-21-11)18-13(20)17-10-5-4-8(15)6-9(10)16/h4-7H,1-3H3,(H2,17,18,19,20)
InChIKeyOXVSTMMEONNUHW-UHFFFAOYSA-N
XLogP3.89
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-difluorophenyl)urea (CID 735913) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-difluorophenyl)urea is CC(C)(C)c1cc(NC(=O)Nc2ccc(F)cc2F)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-difluorophenyl)urea?
The InChIKey is OXVSTMMEONNUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-14(2,3)11-7-12(19-21-11)18-13(20)17-10-5-4-8(15)6-9(10)16/h4-7H,1-3H3,(H2,17,18,19,20).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-difluorophenyl)urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-difluorophenyl)urea has a molecular weight of 295.29 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 735913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).