1-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one

C17H16FN3O2 — CID 58128785

IUPAC1-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one
SMILESO=C(CCCCn1ccnc1)c1cc(-c2cccc(F)c2)on1
InChIInChI=1S/C17H16FN3O2/c18-14-5-3-4-13(10-14)17-11-15(20-23-17)16(22)6-1-2-8-21-9-7-19-12-21/h3-5,7,9-12H,1-2,6,8H2
InChIKeyYOQOFLJMVFMVOV-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.73
Rot. Bonds7

About 1-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one

1-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one (PubChem CID 58128785) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 1-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one.

Molecular Properties

Compound Name1-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one
PubChem CID58128785
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name1-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one
SMILESO=C(CCCCn1ccnc1)c1cc(-c2cccc(F)c2)on1
InChIInChI=1S/C17H16FN3O2/c18-14-5-3-4-13(10-14)17-11-15(20-23-17)16(22)6-1-2-8-21-9-7-19-12-21/h3-5,7,9-12H,1-2,6,8H2
InChIKeyYOQOFLJMVFMVOV-UHFFFAOYSA-N
XLogP3.73
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one
CID 58128796
5-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 6619178
2-(3-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47101279
5-imidazol-1-yl-1-(8-phenyl-1,6-naphthyridin-2-yl)pentan-1-one
CID 161426193
N-[(3-fluorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61070174
3-fluoro-N-(2-imidazol-1-ylethyl)aniline
CID 62564347
1-ethyl-2-[(3-fluorophenyl)methyl]-3-(3-imidazol-1-ylpropyl)guanidine
CID 111877809
4-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]butan-1-one
CID 19078351
2-(5-imidazol-1-ylpentanoyl)-1,3-thiazole-4-carboxamide
CID 18788283
1-[4-(4-fluorophenoxy)butyl]imidazole
CID 31196577
6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 113323370
N-[[5-(3-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 46954909

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one?
The IUPAC name of 1-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one (CID 58128785) is 1-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one.
What is the SMILES notation for 1-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one?
The canonical SMILES for 1-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one is O=C(CCCCn1ccnc1)c1cc(-c2cccc(F)c2)on1.
What is the InChIKey of 1-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one?
The InChIKey is YOQOFLJMVFMVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c18-14-5-3-4-13(10-14)17-11-15(20-23-17)16(22)6-1-2-8-21-9-7-19-12-21/h3-5,7,9-12H,1-2,6,8H2.
What are the key properties of 1-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one?
1-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one has a molecular weight of 313.33 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one is sourced from PubChem (CID 58128785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).