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

C16H21N3O2 — CID 17378544

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2cc(C(C)(C)C)on2)c1C
InChIInChI=1S/C16H21N3O2/c1-10-7-6-8-12(11(10)2)17-15(20)18-14-9-13(21-19-14)16(3,4)5/h6-9H,1-5H3,(H2,17,18,19,20)
InChIKeyQJXQWEBMLGYXAD-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.23
Rot. Bonds2

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

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethylphenyl)urea (PubChem CID 17378544) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethylphenyl)urea
PubChem CID17378544
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2cc(C(C)(C)C)on2)c1C
InChIInChI=1S/C16H21N3O2/c1-10-7-6-8-12(11(10)2)17-15(20)18-14-9-13(21-19-14)16(3,4)5/h6-9H,1-5H3,(H2,17,18,19,20)
InChIKeyQJXQWEBMLGYXAD-UHFFFAOYSA-N
XLogP4.23
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.23
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-fluorophenyl)urea
CID 17380662
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethyl-4-phenoxyphenyl)urea
CID 44565773
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[(2-methylphenyl)methyl]urea
CID 108812444
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-phenylurea
CID 2813558
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108812450
3-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 108812205
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
CID 58990227
CID 58990227
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 59380957
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-dichlorobenzamide
CID 59381180
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-hydroxyphenyl)phenyl]urea
CID 150862884

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethylphenyl)urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethylphenyl)urea (CID 17378544) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethylphenyl)urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethylphenyl)urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethylphenyl)urea is Cc1cccc(NC(=O)Nc2cc(C(C)(C)C)on2)c1C.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethylphenyl)urea?
The InChIKey is QJXQWEBMLGYXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-7-6-8-12(11(10)2)17-15(20)18-14-9-13(21-19-14)16(3,4)5/h6-9H,1-5H3,(H2,17,18,19,20).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethylphenyl)urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethylphenyl)urea has a molecular weight of 287.36 g/mol, XLogP of 4.23, 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-(2,3-dimethylphenyl)urea is sourced from PubChem (CID 17378544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).