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

C14H16N2O3 — CID 47098800

IUPACN-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(C)on1
InChIInChI=1S/C14H16N2O3/c1-10-9-12(16-19-10)14(17)15-8-7-11-5-3-4-6-13(11)18-2/h3-6,9H,7-8H2,1-2H3,(H,15,17)
InChIKeyWKQOAFWUSCCIJW-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.96
Rot. Bonds5

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

N-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 47098800) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID47098800
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(C)on1
InChIInChI=1S/C14H16N2O3/c1-10-9-12(16-19-10)14(17)15-8-7-11-5-3-4-6-13(11)18-2/h3-6,9H,7-8H2,1-2H3,(H,15,17)
InChIKeyWKQOAFWUSCCIJW-UHFFFAOYSA-N
XLogP1.96
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide
CID 110705225
N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 26181262
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42515365
4-amino-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 106262005
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
5-ethyl-N-[2-(2-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 39431668
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 111450746
6-(tert-butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351230
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
5-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 60593102
2-(tert-butylamino)-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330964
2-N-[2-(2-methoxyphenyl)ethyl]-6-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109098628

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 47098800) is N-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide is COc1ccccc1CCNC(=O)c1cc(C)on1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is WKQOAFWUSCCIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-9-12(16-19-10)14(17)15-8-7-11-5-3-4-6-13(11)18-2/h3-6,9H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 47098800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).