2-[1-hydroxy-3-(4-phenoxyphenyl)propyl]-N-methyl-1,3-oxazole-5-carboxamide

C20H20N2O4 — CID 24799818

IUPAC2-[1-hydroxy-3-(4-phenoxyphenyl)propyl]-N-methyl-1,3-oxazole-5-carboxamide
SMILESCNC(=O)c1cnc(C(O)CCc2ccc(Oc3ccccc3)cc2)o1
InChIInChI=1S/C20H20N2O4/c1-21-19(24)18-13-22-20(26-18)17(23)12-9-14-7-10-16(11-8-14)25-15-5-3-2-4-6-15/h2-8,10-11,13,17,23H,9,12H2,1H3,(H,21,24)
InChIKeyRBAKAPNJFNGJDB-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.49
Rot. Bonds7

About 2-[1-hydroxy-3-(4-phenoxyphenyl)propyl]-N-methyl-1,3-oxazole-5-carboxamide

2-[1-hydroxy-3-(4-phenoxyphenyl)propyl]-N-methyl-1,3-oxazole-5-carboxamide (PubChem CID 24799818) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[1-hydroxy-3-(4-phenoxyphenyl)propyl]-N-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-hydroxy-3-(4-phenoxyphenyl)propyl]-N-methyl-1,3-oxazole-5-carboxamide
PubChem CID24799818
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-[1-hydroxy-3-(4-phenoxyphenyl)propyl]-N-methyl-1,3-oxazole-5-carboxamide
SMILESCNC(=O)c1cnc(C(O)CCc2ccc(Oc3ccccc3)cc2)o1
InChIInChI=1S/C20H20N2O4/c1-21-19(24)18-13-22-20(26-18)17(23)12-9-14-7-10-16(11-8-14)25-15-5-3-2-4-6-15/h2-8,10-11,13,17,23H,9,12H2,1H3,(H,21,24)
InChIKeyRBAKAPNJFNGJDB-UHFFFAOYSA-N
XLogP3.49
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxy-3-(4-phenoxyphenyl)propyl]-N-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-[1-hydroxy-3-(4-phenoxyphenyl)propyl]-N-methyl-1,3-oxazole-5-carboxamide (CID 24799818) is 2-[1-hydroxy-3-(4-phenoxyphenyl)propyl]-N-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-[1-hydroxy-3-(4-phenoxyphenyl)propyl]-N-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-[1-hydroxy-3-(4-phenoxyphenyl)propyl]-N-methyl-1,3-oxazole-5-carboxamide is CNC(=O)c1cnc(C(O)CCc2ccc(Oc3ccccc3)cc2)o1.
What is the InChIKey of 2-[1-hydroxy-3-(4-phenoxyphenyl)propyl]-N-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is RBAKAPNJFNGJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-21-19(24)18-13-22-20(26-18)17(23)12-9-14-7-10-16(11-8-14)25-15-5-3-2-4-6-15/h2-8,10-11,13,17,23H,9,12H2,1H3,(H,21,24).
What are the key properties of 2-[1-hydroxy-3-(4-phenoxyphenyl)propyl]-N-methyl-1,3-oxazole-5-carboxamide?
2-[1-hydroxy-3-(4-phenoxyphenyl)propyl]-N-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxy-3-(4-phenoxyphenyl)propyl]-N-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 24799818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).