1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea

C23H20N4O3 — CID 154841169

IUPAC1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESO=C(NCc1ccc(Cn2ccccc2=O)cc1)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C23H20N4O3/c28-22-8-4-5-13-27(22)16-18-11-9-17(10-12-18)15-24-23(29)25-21-14-20(30-26-21)19-6-2-1-3-7-19/h1-14H,15-16H2,(H2,24,25,26,29)
InChIKeyOGMVHRLFFPHLNL-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.87
Rot. Bonds6

About 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea

1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea (PubChem CID 154841169) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
PubChem CID154841169
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESO=C(NCc1ccc(Cn2ccccc2=O)cc1)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C23H20N4O3/c28-22-8-4-5-13-27(22)16-18-11-9-17(10-12-18)15-24-23(29)25-21-14-20(30-26-21)19-6-2-1-3-7-19/h1-14H,15-16H2,(H2,24,25,26,29)
InChIKeyOGMVHRLFFPHLNL-UHFFFAOYSA-N
XLogP3.87
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea (CID 154841169) is 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea is O=C(NCc1ccc(Cn2ccccc2=O)cc1)Nc1cc(-c2ccccc2)on1.
What is the InChIKey of 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The InChIKey is OGMVHRLFFPHLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c28-22-8-4-5-13-27(22)16-18-11-9-17(10-12-18)15-24-23(29)25-21-14-20(30-26-21)19-6-2-1-3-7-19/h1-14H,15-16H2,(H2,24,25,26,29).
What are the key properties of 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea?
1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea has a molecular weight of 400.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 154841169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).