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

C18H15ClFN3O3 — CID 42098982

IUPAC2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1ccncc1)c1coc(COc2ccc(F)cc2Cl)n1
InChIInChI=1S/C18H15ClFN3O3/c19-14-9-13(20)1-2-16(14)25-11-17-23-15(10-26-17)18(24)22-8-5-12-3-6-21-7-4-12/h1-4,6-7,9-10H,5,8,11H2,(H,22,24)
InChIKeyIXKVUKXUEAJWSU-UHFFFAOYSA-N
MW375.79 g/mol
LogP3.41
Rot. Bonds7

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

2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 42098982) has the molecular formula C18H15ClFN3O3 and a molecular weight of 375.79 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide
PubChem CID42098982
Molecular FormulaC18H15ClFN3O3
Molecular Weight375.79 g/mol
Exact Mass375.08
IUPAC Name2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1ccncc1)c1coc(COc2ccc(F)cc2Cl)n1
InChIInChI=1S/C18H15ClFN3O3/c19-14-9-13(20)1-2-16(14)25-11-17-23-15(10-26-17)18(24)22-8-5-12-3-6-21-7-4-12/h1-4,6-7,9-10H,5,8,11H2,(H,22,24)
InChIKeyIXKVUKXUEAJWSU-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 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide (CID 42098982) is 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide is O=C(NCCc1ccncc1)c1coc(COc2ccc(F)cc2Cl)n1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is IXKVUKXUEAJWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3/c19-14-9-13(20)1-2-16(14)25-11-17-23-15(10-26-17)18(24)22-8-5-12-3-6-21-7-4-12/h1-4,6-7,9-10H,5,8,11H2,(H,22,24).
What are the key properties of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide?
2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-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 2-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42098982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).