1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one

C17H16FN3O2 — CID 58128796

IUPAC1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one
SMILESO=C(CCCCn1ccnc1)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C17H16FN3O2/c18-14-6-4-13(5-7-14)17-11-15(20-23-17)16(22)3-1-2-9-21-10-8-19-12-21/h4-8,10-12H,1-3,9H2
InChIKeyXXSKLZGRPGZMAF-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.73
Rot. Bonds7

About 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one

1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one (PubChem CID 58128796) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one
PubChem CID58128796
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one
SMILESO=C(CCCCn1ccnc1)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C17H16FN3O2/c18-14-6-4-13(5-7-14)17-11-15(20-23-17)16(22)3-1-2-9-21-10-8-19-12-21/h4-8,10-12H,1-3,9H2
InChIKeyXXSKLZGRPGZMAF-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-(3-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one
CID 58128785
5-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 6619178
N'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 2883621
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
1-[7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-7-oxoheptyl]-N-[(1S,2S)-2-hydroxycyclopentyl]azetidine-3-carboxamide
CID 147015573
1-[4-(4-fluorophenoxy)butyl]imidazole
CID 31196577
6-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821715
1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 166187049
5-(4-fluorophenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 24738316
methyl 5-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]pentanoate
CID 121255246
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-imidazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 90504343

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one?
The IUPAC name of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one (CID 58128796) is 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one?
The canonical SMILES for 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one is O=C(CCCCn1ccnc1)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one?
The InChIKey is XXSKLZGRPGZMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c18-14-6-4-13(5-7-14)17-11-15(20-23-17)16(22)3-1-2-9-21-10-8-19-12-21/h4-8,10-12H,1-3,9H2.
What are the key properties of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one?
1-[5-(4-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-(4-fluorophenyl)-1,2-oxazol-3-yl]-5-imidazol-1-ylpentan-1-one is sourced from PubChem (CID 58128796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).