5-[[2,6-difluoro-4-(6-propoxy-2-pyridinyl)phenoxy]methyl]-1,2-oxazol-3-one

C18H16F2N2O4 — CID 121446991

IUPAC5-[[2,6-difluoro-4-(6-propoxy-2-pyridinyl)phenoxy]methyl]-1,2-oxazol-3-one
SMILESCCCOc1cccc(-c2cc(F)c(OCc3cc(=O)[nH]o3)c(F)c2)n1
InChIInChI=1S/C18H16F2N2O4/c1-2-6-24-17-5-3-4-15(21-17)11-7-13(19)18(14(20)8-11)25-10-12-9-16(23)22-26-12/h3-5,7-9H,2,6,10H2,1H3,(H,22,23)
InChIKeyAPCFTJPEXPYRKE-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.68
Rot. Bonds7

About 5-[[2,6-difluoro-4-(6-propoxy-2-pyridinyl)phenoxy]methyl]-1,2-oxazol-3-one

5-[[2,6-difluoro-4-(6-propoxy-2-pyridinyl)phenoxy]methyl]-1,2-oxazol-3-one (PubChem CID 121446991) has the molecular formula C18H16F2N2O4 and a molecular weight of 362.33 g/mol. Its IUPAC name is 5-[[2,6-difluoro-4-(6-propoxy-2-pyridinyl)phenoxy]methyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[[2,6-difluoro-4-(6-propoxy-2-pyridinyl)phenoxy]methyl]-1,2-oxazol-3-one
PubChem CID121446991
Molecular FormulaC18H16F2N2O4
Molecular Weight362.33 g/mol
Exact Mass362.11
IUPAC Name5-[[2,6-difluoro-4-(6-propoxy-2-pyridinyl)phenoxy]methyl]-1,2-oxazol-3-one
SMILESCCCOc1cccc(-c2cc(F)c(OCc3cc(=O)[nH]o3)c(F)c2)n1
InChIInChI=1S/C18H16F2N2O4/c1-2-6-24-17-5-3-4-15(21-17)11-7-13(19)18(14(20)8-11)25-10-12-9-16(23)22-26-12/h3-5,7-9H,2,6,10H2,1H3,(H,22,23)
InChIKeyAPCFTJPEXPYRKE-UHFFFAOYSA-N
XLogP3.68
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[2,6-difluoro-4-(6-propoxy-2-pyridinyl)phenoxy]methyl]-1,2-oxazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[2,6-difluoro-4-(6-propoxy-2-pyridinyl)phenoxy]methyl]-1,2-oxazol-3-one?
The IUPAC name of 5-[[2,6-difluoro-4-(6-propoxy-2-pyridinyl)phenoxy]methyl]-1,2-oxazol-3-one (CID 121446991) is 5-[[2,6-difluoro-4-(6-propoxy-2-pyridinyl)phenoxy]methyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[[2,6-difluoro-4-(6-propoxy-2-pyridinyl)phenoxy]methyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[[2,6-difluoro-4-(6-propoxy-2-pyridinyl)phenoxy]methyl]-1,2-oxazol-3-one is CCCOc1cccc(-c2cc(F)c(OCc3cc(=O)[nH]o3)c(F)c2)n1.
What is the InChIKey of 5-[[2,6-difluoro-4-(6-propoxy-2-pyridinyl)phenoxy]methyl]-1,2-oxazol-3-one?
The InChIKey is APCFTJPEXPYRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O4/c1-2-6-24-17-5-3-4-15(21-17)11-7-13(19)18(14(20)8-11)25-10-12-9-16(23)22-26-12/h3-5,7-9H,2,6,10H2,1H3,(H,22,23).
What are the key properties of 5-[[2,6-difluoro-4-(6-propoxy-2-pyridinyl)phenoxy]methyl]-1,2-oxazol-3-one?
5-[[2,6-difluoro-4-(6-propoxy-2-pyridinyl)phenoxy]methyl]-1,2-oxazol-3-one has a molecular weight of 362.33 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,6-difluoro-4-(6-propoxy-2-pyridinyl)phenoxy]methyl]-1,2-oxazol-3-one is sourced from PubChem (CID 121446991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).