N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C17H22N2O4 — CID 1245852

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H22N2O4/c1-5-13-16(11(2)23-19-13)17(20)18-9-8-12-6-7-14(21-3)15(10-12)22-4/h6-7,10H,5,8-9H2,1-4H3,(H,18,20)
InChIKeyIHQNCUIHOQVFGD-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.54
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 1245852) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID1245852
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H22N2O4/c1-5-13-16(11(2)23-19-13)17(20)18-9-8-12-6-7-14(21-3)15(10-12)22-4/h6-7,10H,5,8-9H2,1-4H3,(H,18,20)
InChIKeyIHQNCUIHOQVFGD-UHFFFAOYSA-N
XLogP2.54
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 16009106
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CID 3239886
CID 20304994
CID 20304994
CID 132059961
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CID 132075275
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CID 1251518
CID 1251518
CID 2162375
CID 2162375
CID 2477230
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CID 2557396
CID 2557396

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 1245852) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is IHQNCUIHOQVFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-5-13-16(11(2)23-19-13)17(20)18-9-8-12-6-7-14(21-3)15(10-12)22-4/h6-7,10H,5,8-9H2,1-4H3,(H,18,20).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1245852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).