2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide

C20H21N3O5 — CID 3674210

IUPAC2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2coc(C(N)Cc3ccc(O)cc3)n2)cc1OC
InChIInChI=1S/C20H21N3O5/c1-26-17-8-5-13(10-18(17)27-2)22-19(25)16-11-28-20(23-16)15(21)9-12-3-6-14(24)7-4-12/h3-8,10-11,15,24H,9,21H2,1-2H3,(H,22,25)
InChIKeyWXOSREPZGDOKGF-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.89
Rot. Bonds7

About 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide

2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 3674210) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
PubChem CID3674210
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2coc(C(N)Cc3ccc(O)cc3)n2)cc1OC
InChIInChI=1S/C20H21N3O5/c1-26-17-8-5-13(10-18(17)27-2)22-19(25)16-11-28-20(23-16)15(21)9-12-3-6-14(24)7-4-12/h3-8,10-11,15,24H,9,21H2,1-2H3,(H,22,25)
InChIKeyWXOSREPZGDOKGF-UHFFFAOYSA-N
XLogP2.89
TPSA119.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide (CID 3674210) is 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide is COc1ccc(NC(=O)c2coc(C(N)Cc3ccc(O)cc3)n2)cc1OC.
What is the InChIKey of 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is WXOSREPZGDOKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-26-17-8-5-13(10-18(17)27-2)22-19(25)16-11-28-20(23-16)15(21)9-12-3-6-14(24)7-4-12/h3-8,10-11,15,24H,9,21H2,1-2H3,(H,22,25).
What are the key properties of 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide?
2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 2.89, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3674210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).