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

C16H21N3O2 — CID 143051913

IUPAC1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(C(C)(C)C)no2)c(C)c1
InChIInChI=1S/C16H21N3O2/c1-10-6-7-12(11(2)8-10)17-15(20)18-14-9-13(19-21-14)16(3,4)5/h6-9H,1-5H3,(H2,17,18,20)
InChIKeyVBUUHFAITXSOJU-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.23
Rot. Bonds2

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

1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(2,4-dimethylphenyl)urea (PubChem CID 143051913) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(2,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(2,4-dimethylphenyl)urea
PubChem CID143051913
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(C(C)(C)C)no2)c(C)c1
InChIInChI=1S/C16H21N3O2/c1-10-6-7-12(11(2)8-10)17-15(20)18-14-9-13(19-21-14)16(3,4)5/h6-9H,1-5H3,(H2,17,18,20)
InChIKeyVBUUHFAITXSOJU-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-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-tert-butylphenyl)urea
CID 59380959
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 17437229
N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-ethylphenyl)urea
CID 143052561
1-(5-bromofuran-2-yl)-3-(2,4-dimethylphenyl)urea
CID 108872887
1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea
CID 108991303
1-(2,4-dimethylphenyl)-3-(2-sulfanylphenyl)urea
CID 108886354
2-amino-N-(2,4-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892717
1-[4-(6-amino-3-pyridinyl)phenyl]-3-(3-tert-butyl-1,2-oxazol-5-yl)urea
CID 51030162
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea
CID 170059357
3-[[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466444

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(2,4-dimethylphenyl)urea?
The IUPAC name of 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(2,4-dimethylphenyl)urea (CID 143051913) is 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(2,4-dimethylphenyl)urea.
What is the SMILES notation for 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(2,4-dimethylphenyl)urea?
The canonical SMILES for 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(2,4-dimethylphenyl)urea is Cc1ccc(NC(=O)Nc2cc(C(C)(C)C)no2)c(C)c1.
What is the InChIKey of 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(2,4-dimethylphenyl)urea?
The InChIKey is VBUUHFAITXSOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-6-7-12(11(2)8-10)17-15(20)18-14-9-13(19-21-14)16(3,4)5/h6-9H,1-5H3,(H2,17,18,20).
What are the key properties of 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(2,4-dimethylphenyl)urea?
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(2,4-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-(3-tert-butyl-1,2-oxazol-5-yl)-3-(2,4-dimethylphenyl)urea is sourced from PubChem (CID 143051913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).