N-(2-methoxyethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide

C14H16N2O4 — CID 3240105

IUPACN-(2-methoxyethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOCCNC(=O)c1cc(-c2cccc(OC)c2)on1
InChIInChI=1S/C14H16N2O4/c1-18-7-6-15-14(17)12-9-13(20-16-12)10-4-3-5-11(8-10)19-2/h3-5,8-9H,6-7H2,1-2H3,(H,15,17)
InChIKeyQEQVFGUGFGNWMA-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.73
Rot. Bonds6

About N-(2-methoxyethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide

N-(2-methoxyethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3240105) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID3240105
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-(2-methoxyethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOCCNC(=O)c1cc(-c2cccc(OC)c2)on1
InChIInChI=1S/C14H16N2O4/c1-18-7-6-15-14(17)12-9-13(20-16-12)10-4-3-5-11(8-10)19-2/h3-5,8-9H,6-7H2,1-2H3,(H,15,17)
InChIKeyQEQVFGUGFGNWMA-UHFFFAOYSA-N
XLogP1.73
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Gsk481
CID 90351311
N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
Morpholin-4-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093793
5-(4-Methoxyphenyl)-3-[(pyrrolidin-1-yl)carbonyl]-1,2-oxazole
CID 6619182
4-{[5-(4-Methoxyphenyl)-1,2-oxazol-3-yl]carbonyl}morpholine
CID 17252835
N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093730
N-cyclopentyl-5-(4-fluorophenyl)isoxazole-3-carboxamide
CID 17252686
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870
N-[3-(4-morpholinyl)propyl]-5-phenyl-3-isoxazolecarboxamide
CID 2217157
N-[(1S)-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 118796836
N-(3-(2-hydroxynicotinamido)propyl)-5-phenylisoxazole-3-carboxamide
CID 60167648

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 3240105) is N-(2-methoxyethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is COCCNC(=O)c1cc(-c2cccc(OC)c2)on1.
What is the InChIKey of N-(2-methoxyethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is QEQVFGUGFGNWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-18-7-6-15-14(17)12-9-13(20-16-12)10-4-3-5-11(8-10)19-2/h3-5,8-9H,6-7H2,1-2H3,(H,15,17).
What are the key properties of N-(2-methoxyethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(2-methoxyethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3240105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).