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

C15H19N3O3 — CID 108812308

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-hydroxy-5-methylphenyl)urea
SMILESCc1ccc(O)c(NC(=O)Nc2cc(C(C)(C)C)on2)c1
InChIInChI=1S/C15H19N3O3/c1-9-5-6-11(19)10(7-9)16-14(20)17-13-8-12(21-18-13)15(2,3)4/h5-8,19H,1-4H3,(H2,16,17,18,20)
InChIKeyBQQPOVXFXBENNU-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.63
Rot. Bonds2

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

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-hydroxy-5-methylphenyl)urea (PubChem CID 108812308) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-hydroxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-hydroxy-5-methylphenyl)urea
PubChem CID108812308
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-hydroxy-5-methylphenyl)urea
SMILESCc1ccc(O)c(NC(=O)Nc2cc(C(C)(C)C)on2)c1
InChIInChI=1S/C15H19N3O3/c1-9-5-6-11(19)10(7-9)16-14(20)17-13-8-12(21-18-13)15(2,3)4/h5-8,19H,1-4H3,(H2,16,17,18,20)
InChIKeyBQQPOVXFXBENNU-UHFFFAOYSA-N
XLogP3.63
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethylphenyl)urea
CID 17378544
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-fluorophenyl)urea
CID 17380662
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
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
CID 58990227
CID 58990227
1-(2-hydroxy-4-methylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812172
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-hydroxyphenyl)phenyl]urea
CID 150862884
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-hydroxy-4-(4-propan-2-yloxyphenyl)phenyl]urea
CID 54131951
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethyl-4-phenoxyphenyl)urea
CID 44565773

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-hydroxy-5-methylphenyl)urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-hydroxy-5-methylphenyl)urea (CID 108812308) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-hydroxy-5-methylphenyl)urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-hydroxy-5-methylphenyl)urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-hydroxy-5-methylphenyl)urea is Cc1ccc(O)c(NC(=O)Nc2cc(C(C)(C)C)on2)c1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-hydroxy-5-methylphenyl)urea?
The InChIKey is BQQPOVXFXBENNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-5-6-11(19)10(7-9)16-14(20)17-13-8-12(21-18-13)15(2,3)4/h5-8,19H,1-4H3,(H2,16,17,18,20).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-hydroxy-5-methylphenyl)urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-hydroxy-5-methylphenyl)urea has a molecular weight of 289.33 g/mol, XLogP of 3.63, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-hydroxy-5-methylphenyl)urea is sourced from PubChem (CID 108812308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).