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

C15H18BrN3O2 — CID 108812421

IUPAC1-(4-bromo-2-methylphenyl)-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(Br)ccc1NC(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C15H18BrN3O2/c1-9-7-10(16)5-6-11(9)17-14(20)18-13-8-12(21-19-13)15(2,3)4/h5-8H,1-4H3,(H2,17,18,19,20)
InChIKeyRWURBQXOOAQHQY-UHFFFAOYSA-N
MW352.23 g/mol
LogP4.69
Rot. Bonds2

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

1-(4-bromo-2-methylphenyl)-3-(5-tert-butyl-1,2-oxazol-3-yl)urea (PubChem CID 108812421) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-3-(5-tert-butyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
PubChem CID108812421
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name1-(4-bromo-2-methylphenyl)-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(Br)ccc1NC(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C15H18BrN3O2/c1-9-7-10(16)5-6-11(9)17-14(20)18-13-8-12(21-19-13)15(2,3)4/h5-8H,1-4H3,(H2,17,18,19,20)
InChIKeyRWURBQXOOAQHQY-UHFFFAOYSA-N
XLogP4.69
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethylphenyl)urea
CID 17378544
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-hydroxy-5-methylphenyl)urea
CID 108812308
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-fluorophenyl)urea
CID 17380662
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 978007
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethyl-4-phenoxyphenyl)urea
CID 44565773
CID 58990227
CID 58990227
1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894214
1-(4-bromo-2-methylphenyl)-3-pyrazin-2-ylurea
CID 108893864
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]benzoic acid
CID 59380957
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108812450

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-3-(5-tert-butyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-3-(5-tert-butyl-1,2-oxazol-3-yl)urea (CID 108812421) is 1-(4-bromo-2-methylphenyl)-3-(5-tert-butyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-3-(5-tert-butyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-3-(5-tert-butyl-1,2-oxazol-3-yl)urea is Cc1cc(Br)ccc1NC(=O)Nc1cc(C(C)(C)C)on1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-3-(5-tert-butyl-1,2-oxazol-3-yl)urea?
The InChIKey is RWURBQXOOAQHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-9-7-10(16)5-6-11(9)17-14(20)18-13-8-12(21-19-13)15(2,3)4/h5-8H,1-4H3,(H2,17,18,19,20).
What are the key properties of 1-(4-bromo-2-methylphenyl)-3-(5-tert-butyl-1,2-oxazol-3-yl)urea?
1-(4-bromo-2-methylphenyl)-3-(5-tert-butyl-1,2-oxazol-3-yl)urea has a molecular weight of 352.23 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-3-(5-tert-butyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108812421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).