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

C21H22N2O5 — CID 2812197

IUPACN-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(OCC(O)CNC(=O)c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C21H22N2O5/c1-14-19(20(23-28-14)15-6-4-3-5-7-15)21(25)22-12-16(24)13-27-18-10-8-17(26-2)9-11-18/h3-11,16,24H,12-13H2,1-2H3,(H,22,25)
InChIKeyZLOOWFNLKSINRH-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.83
Rot. Bonds8

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

N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 2812197) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID2812197
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC NameN-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(OCC(O)CNC(=O)c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C21H22N2O5/c1-14-19(20(23-28-14)15-6-4-3-5-7-15)21(25)22-12-16(24)13-27-18-10-8-17(26-2)9-11-18/h3-11,16,24H,12-13H2,1-2H3,(H,22,25)
InChIKeyZLOOWFNLKSINRH-UHFFFAOYSA-N
XLogP2.83
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 2812197) is N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1ccc(OCC(O)CNC(=O)c2c(-c3ccccc3)noc2C)cc1.
What is the InChIKey of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is ZLOOWFNLKSINRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-14-19(20(23-28-14)15-6-4-3-5-7-15)21(25)22-12-16(24)13-27-18-10-8-17(26-2)9-11-18/h3-11,16,24H,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2812197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).