2-[(2-chloro-4-fluorophenoxy)methyl]-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,3-oxazole-4-carboxamide

C17H15ClFN3O4 — CID 42464561

IUPAC2-[(2-chloro-4-fluorophenoxy)methyl]-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCCc1cc(CNC(=O)c2coc(COc3ccc(F)cc3Cl)n2)on1
InChIInChI=1S/C17H15ClFN3O4/c1-2-11-6-12(26-22-11)7-20-17(23)14-8-25-16(21-14)9-24-15-4-3-10(19)5-13(15)18/h3-6,8H,2,7,9H2,1H3,(H,20,23)
InChIKeyNRAUDVKQAMTCCJ-UHFFFAOYSA-N
MW379.78 g/mol
LogP3.53
Rot. Bonds7

About 2-[(2-chloro-4-fluorophenoxy)methyl]-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,3-oxazole-4-carboxamide

2-[(2-chloro-4-fluorophenoxy)methyl]-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 42464561) 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-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenoxy)methyl]-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID42464561
Molecular FormulaC17H15ClFN3O4
Molecular Weight379.78 g/mol
Exact Mass379.07
IUPAC Name2-[(2-chloro-4-fluorophenoxy)methyl]-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCCc1cc(CNC(=O)c2coc(COc3ccc(F)cc3Cl)n2)on1
InChIInChI=1S/C17H15ClFN3O4/c1-2-11-6-12(26-22-11)7-20-17(23)14-8-25-16(21-14)9-24-15-4-3-10(19)5-13(15)18/h3-6,8H,2,7,9H2,1H3,(H,20,23)
InChIKeyNRAUDVKQAMTCCJ-UHFFFAOYSA-N
XLogP3.53
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.78
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,3-oxazole-4-carboxamide (CID 42464561) is 2-[(2-chloro-4-fluorophenoxy)methyl]-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenoxy)methyl]-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(2-chloro-4-fluorophenoxy)methyl]-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,3-oxazole-4-carboxamide is CCc1cc(CNC(=O)c2coc(COc3ccc(F)cc3Cl)n2)on1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is NRAUDVKQAMTCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O4/c1-2-11-6-12(26-22-11)7-20-17(23)14-8-25-16(21-14)9-24-15-4-3-10(19)5-13(15)18/h3-6,8H,2,7,9H2,1H3,(H,20,23).
What are the key properties of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,3-oxazole-4-carboxamide?
2-[(2-chloro-4-fluorophenoxy)methyl]-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 379.78 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenoxy)methyl]-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42464561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).