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

C18H17N3O2 — CID 110314655

IUPAC1-phenyl-3-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]urea
SMILESO=C(NCCc1cc(-c2ccccc2)on1)Nc1ccccc1
InChIInChI=1S/C18H17N3O2/c22-18(20-15-9-5-2-6-10-15)19-12-11-16-13-17(23-21-16)14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H2,19,20,22)
InChIKeyGEOKCBMMJYJGPS-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.71
Rot. Bonds5

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

1-phenyl-3-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]urea (PubChem CID 110314655) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-phenyl-3-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]urea
PubChem CID110314655
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name1-phenyl-3-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]urea
SMILESO=C(NCCc1cc(-c2ccccc2)on1)Nc1ccccc1
InChIInChI=1S/C18H17N3O2/c22-18(20-15-9-5-2-6-10-15)19-12-11-16-13-17(23-21-16)14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H2,19,20,22)
InChIKeyGEOKCBMMJYJGPS-UHFFFAOYSA-N
XLogP3.71
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 47093359
3-acetamido-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]propanamide
CID 110633970
2-(4-fluorophenyl)-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]acetamide
CID 110314644
1-[2-(4-hydroxyphenyl)ethyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 122156014
3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid
CID 53414694
N-[4-[2-(5-phenyl-1,2-oxazol-3-yl)ethylsulfamoyl]phenyl]acetamide
CID 110314714
1-[2-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812819
1-[2-(4-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812827
2-(2-methoxyphenoxy)-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]acetamide
CID 110314664
1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 51106245
N-(4-hydroxyphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 155556405
2,3-dimethyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]quinoxaline-6-carboxamide
CID 110312475

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]urea?
The IUPAC name of 1-phenyl-3-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]urea (CID 110314655) is 1-phenyl-3-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-phenyl-3-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]urea?
The canonical SMILES for 1-phenyl-3-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]urea is O=C(NCCc1cc(-c2ccccc2)on1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]urea?
The InChIKey is GEOKCBMMJYJGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-18(20-15-9-5-2-6-10-15)19-12-11-16-13-17(23-21-16)14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H2,19,20,22).
What are the key properties of 1-phenyl-3-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]urea?
1-phenyl-3-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]urea has a molecular weight of 307.35 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]urea is sourced from PubChem (CID 110314655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).