1-(2-methyl-6-propan-2-ylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea

C20H21N3O2 — CID 108812503

IUPAC1-(2-methyl-6-propan-2-ylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESCc1cccc(C(C)C)c1NC(=O)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C20H21N3O2/c1-13(2)16-11-7-8-14(3)19(16)22-20(24)21-18-12-17(25-23-18)15-9-5-4-6-10-15/h4-13H,1-3H3,(H2,21,22,23,24)
InChIKeyYUHRKQZLCQTWHD-UHFFFAOYSA-N
MW335.41 g/mol
LogP5.42
Rot. Bonds4

About 1-(2-methyl-6-propan-2-ylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea

1-(2-methyl-6-propan-2-ylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea (PubChem CID 108812503) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(2-methyl-6-propan-2-ylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(2-methyl-6-propan-2-ylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
PubChem CID108812503
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-(2-methyl-6-propan-2-ylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESCc1cccc(C(C)C)c1NC(=O)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C20H21N3O2/c1-13(2)16-11-7-8-14(3)19(16)22-20(24)21-18-12-17(25-23-18)15-9-5-4-6-10-15/h4-13H,1-3H3,(H2,21,22,23,24)
InChIKeyYUHRKQZLCQTWHD-UHFFFAOYSA-N
XLogP5.42
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261863
1-(2-ethyl-6-methylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812578
1-(2-methyl-6-propan-2-ylphenyl)-3-pyridin-2-ylurea
CID 110491803
1-(3,4-dimethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812650
1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812531
N-(2,6-dimethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 3073010
2-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142553
1-(4-hydroxyphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812516
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 28510886
2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 62670099
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea (CID 108812503) is 1-(2-methyl-6-propan-2-ylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(2-methyl-6-propan-2-ylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(2-methyl-6-propan-2-ylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea is Cc1cccc(C(C)C)c1NC(=O)Nc1cc(-c2ccccc2)on1.
What is the InChIKey of 1-(2-methyl-6-propan-2-ylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The InChIKey is YUHRKQZLCQTWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13(2)16-11-7-8-14(3)19(16)22-20(24)21-18-12-17(25-23-18)15-9-5-4-6-10-15/h4-13H,1-3H3,(H2,21,22,23,24).
What are the key properties of 1-(2-methyl-6-propan-2-ylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea?
1-(2-methyl-6-propan-2-ylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea has a molecular weight of 335.41 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-propan-2-ylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108812503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).