N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,4-dioxane-2-carboxamide

C18H15FN2O4 — CID 163367449

IUPACN-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,4-dioxane-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3cccc(F)c3o2)cc1)C1COCCO1
InChIInChI=1S/C18H15FN2O4/c19-13-2-1-3-14-16(13)25-18(21-14)11-4-6-12(7-5-11)20-17(22)15-10-23-8-9-24-15/h1-7,15H,8-10H2,(H,20,22)
InChIKeyYRJOBQXRRRUBME-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.99
Rot. Bonds3

About N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,4-dioxane-2-carboxamide

N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,4-dioxane-2-carboxamide (PubChem CID 163367449) has the molecular formula C18H15FN2O4 and a molecular weight of 342.33 g/mol. Its IUPAC name is N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,4-dioxane-2-carboxamide
PubChem CID163367449
Molecular FormulaC18H15FN2O4
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC NameN-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,4-dioxane-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3cccc(F)c3o2)cc1)C1COCCO1
InChIInChI=1S/C18H15FN2O4/c19-13-2-1-3-14-16(13)25-18(21-14)11-4-6-12(7-5-11)20-17(22)15-10-23-8-9-24-15/h1-7,15H,8-10H2,(H,20,22)
InChIKeyYRJOBQXRRRUBME-UHFFFAOYSA-N
XLogP2.99
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,4-dioxane-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 163367383
N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-2-hydroxy-2-methylpropanamide
CID 163367426
N-phenyl-1,4-dioxane-2-carboxamide
CID 47176768
(2S)-N-phenyl-1,4-dioxane-2-carboxamide
CID 39885866
N-(6-fluoro-2-pyridinyl)-1,4-dioxane-2-carboxamide
CID 104820872
7-fluoro-2-(4-fluorophenyl)-1,3-benzoxazole
CID 82231372
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-1,4-dioxane-2-carboxamide
CID 76949528
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide
CID 977986
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,4-dioxane-2-carboxamide
CID 63901328
N-(3-ethynylphenyl)-1,4-dioxane-2-carboxamide
CID 47176741
N-(6-methoxy-3-pyridinyl)-1,4-dioxane-2-carboxamide
CID 47178164
(2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide
CID 27234711

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,4-dioxane-2-carboxamide?
The IUPAC name of N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,4-dioxane-2-carboxamide (CID 163367449) is N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,4-dioxane-2-carboxamide is O=C(Nc1ccc(-c2nc3cccc(F)c3o2)cc1)C1COCCO1.
What is the InChIKey of N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,4-dioxane-2-carboxamide?
The InChIKey is YRJOBQXRRRUBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4/c19-13-2-1-3-14-16(13)25-18(21-14)11-4-6-12(7-5-11)20-17(22)15-10-23-8-9-24-15/h1-7,15H,8-10H2,(H,20,22).
What are the key properties of N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,4-dioxane-2-carboxamide?
N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,4-dioxane-2-carboxamide has a molecular weight of 342.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 163367449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).