2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide

C15H16ClFN2O4 — CID 42214756

IUPAC2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide
SMILESCOCCN(C)C(=O)c1coc(COc2ccc(F)cc2Cl)n1
InChIInChI=1S/C15H16ClFN2O4/c1-19(5-6-21-2)15(20)12-8-23-14(18-12)9-22-13-4-3-10(17)7-11(13)16/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyMRYYICVPAMICSG-UHFFFAOYSA-N
MW342.75 g/mol
LogP2.76
Rot. Bonds7

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

2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 42214756) has the molecular formula C15H16ClFN2O4 and a molecular weight of 342.75 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID42214756
Molecular FormulaC15H16ClFN2O4
Molecular Weight342.75 g/mol
Exact Mass342.08
IUPAC Name2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide
SMILESCOCCN(C)C(=O)c1coc(COc2ccc(F)cc2Cl)n1
InChIInChI=1S/C15H16ClFN2O4/c1-19(5-6-21-2)15(20)12-8-23-14(18-12)9-22-13-4-3-10(17)7-11(13)16/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyMRYYICVPAMICSG-UHFFFAOYSA-N
XLogP2.76
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.75
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide (CID 42214756) is 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide is COCCN(C)C(=O)c1coc(COc2ccc(F)cc2Cl)n1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is MRYYICVPAMICSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O4/c1-19(5-6-21-2)15(20)12-8-23-14(18-12)9-22-13-4-3-10(17)7-11(13)16/h3-4,7-8H,5-6,9H2,1-2H3.
What are the key properties of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide?
2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 342.75 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42214756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).