1-(4-methoxyphenyl)-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea

C18H17N3O3 — CID 2738315

IUPAC1-(4-methoxyphenyl)-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea
SMILESCOc1ccc(NC(=O)Nc2c(C)noc2-c2ccccc2)cc1
InChIInChI=1S/C18H17N3O3/c1-12-16(17(24-21-12)13-6-4-3-5-7-13)20-18(22)19-14-8-10-15(23-2)11-9-14/h3-11H,1-2H3,(H2,19,20,22)
InChIKeyAFNXZYUAUXOODL-UHFFFAOYSA-N
MW323.35 g/mol
LogP4.30
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea

1-(4-methoxyphenyl)-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea (PubChem CID 2738315) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea
PubChem CID2738315
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name1-(4-methoxyphenyl)-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea
SMILESCOc1ccc(NC(=O)Nc2c(C)noc2-c2ccccc2)cc1
InChIInChI=1S/C18H17N3O3/c1-12-16(17(24-21-12)13-6-4-3-5-7-13)20-18(22)19-14-8-10-15(23-2)11-9-14/h3-11H,1-2H3,(H2,19,20,22)
InChIKeyAFNXZYUAUXOODL-UHFFFAOYSA-N
XLogP4.30
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea (CID 2738315) is 1-(4-methoxyphenyl)-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea is COc1ccc(NC(=O)Nc2c(C)noc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea?
The InChIKey is AFNXZYUAUXOODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-16(17(24-21-12)13-6-4-3-5-7-13)20-18(22)19-14-8-10-15(23-2)11-9-14/h3-11H,1-2H3,(H2,19,20,22).
What are the key properties of 1-(4-methoxyphenyl)-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea?
1-(4-methoxyphenyl)-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea has a molecular weight of 323.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea is sourced from PubChem (CID 2738315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).