1-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea

C21H20N4O3 — CID 154864208

IUPAC1-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESCC(NC(=O)Nc1cc(-c2ccccc2)on1)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C21H20N4O3/c1-13(15-8-9-17-16(10-15)11-20(26)25(17)2)22-21(27)23-19-12-18(28-24-19)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H2,22,23,24,27)
InChIKeyFPWGPZQDXJFJMS-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.74
Rot. Bonds4

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

1-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea (PubChem CID 154864208) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
PubChem CID154864208
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name1-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESCC(NC(=O)Nc1cc(-c2ccccc2)on1)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C21H20N4O3/c1-13(15-8-9-17-16(10-15)11-20(26)25(17)2)22-21(27)23-19-12-18(28-24-19)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H2,22,23,24,27)
InChIKeyFPWGPZQDXJFJMS-UHFFFAOYSA-N
XLogP3.74
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea (CID 154864208) is 1-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea is CC(NC(=O)Nc1cc(-c2ccccc2)on1)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 1-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The InChIKey is FPWGPZQDXJFJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13(15-8-9-17-16(10-15)11-20(26)25(17)2)22-21(27)23-19-12-18(28-24-19)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H2,22,23,24,27).
What are the key properties of 1-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea?
1-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea has a molecular weight of 376.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 154864208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).