4-[(2,3-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-3-carboxamide

C17H22N2O4 — CID 19490600

IUPAC4-[(2,3-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOCCNC(=O)c1noc(C)c1COc1cccc(C)c1C
InChIInChI=1S/C17H22N2O4/c1-11-6-5-7-15(12(11)2)22-10-14-13(3)23-19-16(14)17(20)18-8-9-21-4/h5-7H,8-10H2,1-4H3,(H,18,20)
InChIKeyYLRXAQZPPCEKAF-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.56
Rot. Bonds7

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

4-[(2,3-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19490600) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-[(2,3-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2,3-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19490600
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name4-[(2,3-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOCCNC(=O)c1noc(C)c1COc1cccc(C)c1C
InChIInChI=1S/C17H22N2O4/c1-11-6-5-7-15(12(11)2)22-10-14-13(3)23-19-16(14)17(20)18-8-9-21-4/h5-7H,8-10H2,1-4H3,(H,18,20)
InChIKeyYLRXAQZPPCEKAF-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
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

N-[2-(4-chloropyrazol-1-yl)ethyl]-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19490613
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19490593
4-[(2,3-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19490451
4-[(2,3-dimethylphenoxy)methyl]-N-(4-ethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19490449
4-[(2,3-dimethylphenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19490391
4-[(2-methoxyphenoxy)methyl]-5-methyl-N-propyl-1,2-oxazole-3-carboxamide
CID 19442847
4-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444413
N-(2,4-dichlorophenyl)-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19490378
4-[(2,3-dimethylphenoxy)methyl]-5-methyl-N-(4-methyl-3,5-dinitrophenyl)-1,2-oxazole-3-carboxamide
CID 19490574
4-[(2,3-dimethylphenoxy)methyl]-N-(1,3-dimethylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19490652
4-[(2,3-dimethylphenoxy)methyl]-5-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19490517
4-[(2-fluorophenoxy)methyl]-5-methyl-N-propyl-1,2-oxazole-3-carboxamide
CID 19490221

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(2,3-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 19490600) is 4-[(2,3-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(2,3-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(2,3-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-3-carboxamide is COCCNC(=O)c1noc(C)c1COc1cccc(C)c1C.
What is the InChIKey of 4-[(2,3-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is YLRXAQZPPCEKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-11-6-5-7-15(12(11)2)22-10-14-13(3)23-19-16(14)17(20)18-8-9-21-4/h5-7H,8-10H2,1-4H3,(H,18,20).
What are the key properties of 4-[(2,3-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-3-carboxamide?
4-[(2,3-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19490600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).