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

C17H15ClFN3O4 — CID 45208976

IUPAC2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCC(c1ccon1)N(C)C(=O)c1coc(COc2ccc(F)cc2Cl)n1
InChIInChI=1S/C17H15ClFN3O4/c1-10(13-5-6-26-21-13)22(2)17(23)14-8-25-16(20-14)9-24-15-4-3-11(19)7-12(15)18/h3-8,10H,9H2,1-2H3
InChIKeyXDXYJCFWBLKVDN-UHFFFAOYSA-N
MW379.78 g/mol
LogP3.87
Rot. Bonds6

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

2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 45208976) has the molecular formula C17H15ClFN3O4 and a molecular weight of 379.78 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID45208976
Molecular FormulaC17H15ClFN3O4
Molecular Weight379.78 g/mol
Exact Mass379.07
IUPAC Name2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCC(c1ccon1)N(C)C(=O)c1coc(COc2ccc(F)cc2Cl)n1
InChIInChI=1S/C17H15ClFN3O4/c1-10(13-5-6-26-21-13)22(2)17(23)14-8-25-16(20-14)9-24-15-4-3-11(19)7-12(15)18/h3-8,10H,9H2,1-2H3
InChIKeyXDXYJCFWBLKVDN-UHFFFAOYSA-N
XLogP3.87
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.78
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide (CID 45208976) is 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide is CC(c1ccon1)N(C)C(=O)c1coc(COc2ccc(F)cc2Cl)n1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is XDXYJCFWBLKVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O4/c1-10(13-5-6-26-21-13)22(2)17(23)14-8-25-16(20-14)9-24-15-4-3-11(19)7-12(15)18/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide?
2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 379.78 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 45208976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).