5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide

C18H15ClFN3O3 — CID 24791408

IUPAC5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1cccnc1)c1cc(COc2ccc(F)cc2Cl)on1
InChIInChI=1S/C18H15ClFN3O3/c19-15-8-13(20)3-4-17(15)25-11-14-9-16(23-26-14)18(24)22-7-5-12-2-1-6-21-10-12/h1-4,6,8-10H,5,7,11H2,(H,22,24)
InChIKeyNCOKMQLDISAXIL-UHFFFAOYSA-N
MW375.79 g/mol
LogP3.41
Rot. Bonds7

About 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide

5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 24791408) has the molecular formula C18H15ClFN3O3 and a molecular weight of 375.79 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide
PubChem CID24791408
Molecular FormulaC18H15ClFN3O3
Molecular Weight375.79 g/mol
Exact Mass375.08
IUPAC Name5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1cccnc1)c1cc(COc2ccc(F)cc2Cl)on1
InChIInChI=1S/C18H15ClFN3O3/c19-15-8-13(20)3-4-17(15)25-11-14-9-16(23-26-14)18(24)22-7-5-12-2-1-6-21-10-12/h1-4,6,8-10H,5,7,11H2,(H,22,24)
InChIKeyNCOKMQLDISAXIL-UHFFFAOYSA-N
XLogP3.41
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide (CID 24791408) is 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide is O=C(NCCc1cccnc1)c1cc(COc2ccc(F)cc2Cl)on1.
What is the InChIKey of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NCOKMQLDISAXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3/c19-15-8-13(20)3-4-17(15)25-11-14-9-16(23-26-14)18(24)22-7-5-12-2-1-6-21-10-12/h1-4,6,8-10H,5,7,11H2,(H,22,24).
What are the key properties of 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide?
5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 375.79 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24791408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).