1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea

C19H19N3O2 — CID 108812821

IUPAC1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESCc1cccc(CCNC(=O)Nc2cc(-c3ccccc3)on2)c1
InChIInChI=1S/C19H19N3O2/c1-14-6-5-7-15(12-14)10-11-20-19(23)21-18-13-17(24-22-18)16-8-3-2-4-9-16/h2-9,12-13H,10-11H2,1H3,(H2,20,21,22,23)
InChIKeyUBVGXZCVDGPJEN-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.01
Rot. Bonds5

About 1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea

1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea (PubChem CID 108812821) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
PubChem CID108812821
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESCc1cccc(CCNC(=O)Nc2cc(-c3ccccc3)on2)c1
InChIInChI=1S/C19H19N3O2/c1-14-6-5-7-15(12-14)10-11-20-19(23)21-18-13-17(24-22-18)16-8-3-2-4-9-16/h2-9,12-13H,10-11H2,1H3,(H2,20,21,22,23)
InChIKeyUBVGXZCVDGPJEN-UHFFFAOYSA-N
XLogP4.01
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812827
1-[2-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812819
1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
CID 108900770
1-[2-(3-methylphenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea
CID 108900857
1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812531
1-[(3-methoxyphenyl)methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812811
1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108900768
1-(4-chloro-2-pyridinyl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108900861
1-[5-(dimethylamino)-2-pyridinyl]-3-[2-(3-methylphenyl)ethyl]urea
CID 75477406
1-(3,4-dimethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812650
1-phenyl-3-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]urea
CID 110314655
ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate
CID 108812805

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea (CID 108812821) is 1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea is Cc1cccc(CCNC(=O)Nc2cc(-c3ccccc3)on2)c1.
What is the InChIKey of 1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The InChIKey is UBVGXZCVDGPJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-6-5-7-15(12-14)10-11-20-19(23)21-18-13-17(24-22-18)16-8-3-2-4-9-16/h2-9,12-13H,10-11H2,1H3,(H2,20,21,22,23).
What are the key properties of 1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea?
1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea has a molecular weight of 321.38 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108812821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).