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

C14H16FN3O2 — CID 17380662

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-fluorophenyl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccccc2F)no1
InChIInChI=1S/C14H16FN3O2/c1-14(2,3)11-8-12(18-20-11)17-13(19)16-10-7-5-4-6-9(10)15/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKeyIQVJJEJCWFJAIT-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.76
Rot. Bonds2

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

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-fluorophenyl)urea (PubChem CID 17380662) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-fluorophenyl)urea
PubChem CID17380662
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-fluorophenyl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccccc2F)no1
InChIInChI=1S/C14H16FN3O2/c1-14(2,3)11-8-12(18-20-11)17-13(19)16-10-7-5-4-6-9(10)15/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKeyIQVJJEJCWFJAIT-UHFFFAOYSA-N
XLogP3.76
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 978007
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethylphenyl)urea
CID 17378544
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-difluorobenzamide
CID 59381141
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-hydroxy-5-methylphenyl)urea
CID 108812308
1-(4-bromo-2-methylphenyl)-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 108812421
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethyl-4-phenoxyphenyl)urea
CID 44565773
CID 58990227
CID 58990227
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[(2-methylphenyl)methyl]urea
CID 108812444
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide
CID 46883422
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 59380957
3-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 108812205

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-fluorophenyl)urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-fluorophenyl)urea (CID 17380662) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-fluorophenyl)urea is CC(C)(C)c1cc(NC(=O)Nc2ccccc2F)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-fluorophenyl)urea?
The InChIKey is IQVJJEJCWFJAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-14(2,3)11-8-12(18-20-11)17-13(19)16-10-7-5-4-6-9(10)15/h4-8H,1-3H3,(H2,16,17,18,19).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-fluorophenyl)urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-fluorophenyl)urea has a molecular weight of 277.30 g/mol, XLogP of 3.76, 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-fluorophenyl)urea is sourced from PubChem (CID 17380662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).