[2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(oxazinan-2-yl)methanone

C15H14ClFN2O4 — CID 25368703

IUPAC[2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(oxazinan-2-yl)methanone
SMILESO=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CCCCO1
InChIInChI=1S/C15H14ClFN2O4/c16-11-7-10(17)3-4-13(11)21-9-14-18-12(8-22-14)15(20)19-5-1-2-6-23-19/h3-4,7-8H,1-2,5-6,9H2
InChIKeyPATYUYAQVOKJSX-UHFFFAOYSA-N
MW340.74 g/mol
LogP3.21
Rot. Bonds4

About [2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(oxazinan-2-yl)methanone

[2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(oxazinan-2-yl)methanone (PubChem CID 25368703) has the molecular formula C15H14ClFN2O4 and a molecular weight of 340.74 g/mol. Its IUPAC name is [2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(oxazinan-2-yl)methanone.

Molecular Properties

Compound Name[2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(oxazinan-2-yl)methanone
PubChem CID25368703
Molecular FormulaC15H14ClFN2O4
Molecular Weight340.74 g/mol
Exact Mass340.06
IUPAC Name[2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(oxazinan-2-yl)methanone
SMILESO=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CCCCO1
InChIInChI=1S/C15H14ClFN2O4/c16-11-7-10(17)3-4-13(11)21-9-14-18-12(8-22-14)15(20)19-5-1-2-6-23-19/h3-4,7-8H,1-2,5-6,9H2
InChIKeyPATYUYAQVOKJSX-UHFFFAOYSA-N
XLogP3.21
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.74
LogP ≤ 53.21
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]-1,3-oxazol-4-yl]-(oxazinan-2-yl)methanone?
The IUPAC name of [2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(oxazinan-2-yl)methanone (CID 25368703) is [2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(oxazinan-2-yl)methanone.
What is the SMILES notation for [2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(oxazinan-2-yl)methanone?
The canonical SMILES for [2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(oxazinan-2-yl)methanone is O=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CCCCO1.
What is the InChIKey of [2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(oxazinan-2-yl)methanone?
The InChIKey is PATYUYAQVOKJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O4/c16-11-7-10(17)3-4-13(11)21-9-14-18-12(8-22-14)15(20)19-5-1-2-6-23-19/h3-4,7-8H,1-2,5-6,9H2.
What are the key properties of [2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(oxazinan-2-yl)methanone?
[2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(oxazinan-2-yl)methanone has a molecular weight of 340.74 g/mol, XLogP of 3.21, 4 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]-1,3-oxazol-4-yl]-(oxazinan-2-yl)methanone is sourced from PubChem (CID 25368703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).