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

C18H16ClN3O2 — CID 108812819

IUPAC1-[2-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESO=C(NCCc1ccccc1Cl)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C18H16ClN3O2/c19-15-9-5-4-6-13(15)10-11-20-18(23)21-17-12-16(24-22-17)14-7-2-1-3-8-14/h1-9,12H,10-11H2,(H2,20,21,22,23)
InChIKeySPAWTWJBKZXJDG-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.36
Rot. Bonds5

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

1-[2-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea (PubChem CID 108812819) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
PubChem CID108812819
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESO=C(NCCc1ccccc1Cl)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C18H16ClN3O2/c19-15-9-5-4-6-13(15)10-11-20-18(23)21-17-12-16(24-22-17)14-7-2-1-3-8-14/h1-9,12H,10-11H2,(H2,20,21,22,23)
InChIKeySPAWTWJBKZXJDG-UHFFFAOYSA-N
XLogP4.36
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.36
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-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812821
1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812531
1-phenyl-3-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]urea
CID 110314655
1-[2-(2-chlorophenyl)ethyl]-2-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 111883063
1-(3,5-dichlorophenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812735
1-[2-(2-chlorophenyl)ethyl]-3-pyrimidin-2-ylurea
CID 108900277
1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 47455296
1-(2-ethyl-6-methylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812578
1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812798
1-[2-(2-chlorophenyl)ethyl]-3-(3-hydroxyphenyl)urea
CID 108895923
1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812547

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea (CID 108812819) is 1-[2-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea is O=C(NCCc1ccccc1Cl)Nc1cc(-c2ccccc2)on1.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The InChIKey is SPAWTWJBKZXJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-15-9-5-4-6-13(15)10-11-20-18(23)21-17-12-16(24-22-17)14-7-2-1-3-8-14/h1-9,12H,10-11H2,(H2,20,21,22,23).
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea?
1-[2-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea has a molecular weight of 341.80 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108812819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).