4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-4-[6-(1,3-oxazol-2-yl)-6-oxohexyl]-1,3-oxazolidin-2-one

C21H21FN4O4 — CID 146317383

IUPAC4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-4-[6-(1,3-oxazol-2-yl)-6-oxohexyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(CCCCCC(=O)c2ncco2)(c2ncc(-c3ccc(F)cc3)[nH]2)CO1
InChIInChI=1S/C21H21FN4O4/c22-15-7-5-14(6-8-15)16-12-24-19(25-16)21(13-30-20(28)26-21)9-3-1-2-4-17(27)18-23-10-11-29-18/h5-8,10-12H,1-4,9,13H2,(H,24,25)(H,26,28)
InChIKeyCNMFASOGWRJWDV-UHFFFAOYSA-N
MW412.42 g/mol
LogP3.97
Rot. Bonds9

About 4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-4-[6-(1,3-oxazol-2-yl)-6-oxohexyl]-1,3-oxazolidin-2-one

4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-4-[6-(1,3-oxazol-2-yl)-6-oxohexyl]-1,3-oxazolidin-2-one (PubChem CID 146317383) has the molecular formula C21H21FN4O4 and a molecular weight of 412.42 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-4-[6-(1,3-oxazol-2-yl)-6-oxohexyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-4-[6-(1,3-oxazol-2-yl)-6-oxohexyl]-1,3-oxazolidin-2-one
PubChem CID146317383
Molecular FormulaC21H21FN4O4
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC Name4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-4-[6-(1,3-oxazol-2-yl)-6-oxohexyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(CCCCCC(=O)c2ncco2)(c2ncc(-c3ccc(F)cc3)[nH]2)CO1
InChIInChI=1S/C21H21FN4O4/c22-15-7-5-14(6-8-15)16-12-24-19(25-16)21(13-30-20(28)26-21)9-3-1-2-4-17(27)18-23-10-11-29-18/h5-8,10-12H,1-4,9,13H2,(H,24,25)(H,26,28)
InChIKeyCNMFASOGWRJWDV-UHFFFAOYSA-N
XLogP3.97
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-4-[6-(1,3-oxazol-2-yl)-6-oxohexyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-4-[6-(1,3-oxazol-2-yl)-6-oxohexyl]-1,3-oxazolidin-2-one (CID 146317383) is 4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-4-[6-(1,3-oxazol-2-yl)-6-oxohexyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-4-[6-(1,3-oxazol-2-yl)-6-oxohexyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-4-[6-(1,3-oxazol-2-yl)-6-oxohexyl]-1,3-oxazolidin-2-one is O=C1NC(CCCCCC(=O)c2ncco2)(c2ncc(-c3ccc(F)cc3)[nH]2)CO1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-4-[6-(1,3-oxazol-2-yl)-6-oxohexyl]-1,3-oxazolidin-2-one?
The InChIKey is CNMFASOGWRJWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O4/c22-15-7-5-14(6-8-15)16-12-24-19(25-16)21(13-30-20(28)26-21)9-3-1-2-4-17(27)18-23-10-11-29-18/h5-8,10-12H,1-4,9,13H2,(H,24,25)(H,26,28).
What are the key properties of 4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-4-[6-(1,3-oxazol-2-yl)-6-oxohexyl]-1,3-oxazolidin-2-one?
4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-4-[6-(1,3-oxazol-2-yl)-6-oxohexyl]-1,3-oxazolidin-2-one has a molecular weight of 412.42 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-4-[6-(1,3-oxazol-2-yl)-6-oxohexyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 146317383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).