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

C22H23FN4O3 — CID 146317348

IUPAC(5R)-5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,3-oxazol-2-yl)-6-oxohexyl]pyrrolidin-2-one
SMILESO=C1CC[C@](CCCCCC(=O)c2ncco2)(c2ncc(-c3ccc(F)cc3)[nH]2)N1
InChIInChI=1S/C22H23FN4O3/c23-16-7-5-15(6-8-16)17-14-25-21(26-17)22(11-9-19(29)27-22)10-3-1-2-4-18(28)20-24-12-13-30-20/h5-8,12-14H,1-4,9-11H2,(H,25,26)(H,27,29)/t22-/m1/s1
InChIKeyCIBATLGGIMSFLT-JOCHJYFZSA-N
MW410.45 g/mol
LogP4.14
Rot. Bonds9

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

(5R)-5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,3-oxazol-2-yl)-6-oxohexyl]pyrrolidin-2-one (PubChem CID 146317348) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is (5R)-5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,3-oxazol-2-yl)-6-oxohexyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,3-oxazol-2-yl)-6-oxohexyl]pyrrolidin-2-one
PubChem CID146317348
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name(5R)-5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,3-oxazol-2-yl)-6-oxohexyl]pyrrolidin-2-one
SMILESO=C1CC[C@](CCCCCC(=O)c2ncco2)(c2ncc(-c3ccc(F)cc3)[nH]2)N1
InChIInChI=1S/C22H23FN4O3/c23-16-7-5-15(6-8-16)17-14-25-21(26-17)22(11-9-19(29)27-22)10-3-1-2-4-18(28)20-24-12-13-30-20/h5-8,12-14H,1-4,9-11H2,(H,25,26)(H,27,29)/t22-/m1/s1
InChIKeyCIBATLGGIMSFLT-JOCHJYFZSA-N
XLogP4.14
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (5R)-5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,3-oxazol-2-yl)-6-oxohexyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,3-oxazol-2-yl)-6-oxohexyl]pyrrolidin-2-one (CID 146317348) is (5R)-5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,3-oxazol-2-yl)-6-oxohexyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,3-oxazol-2-yl)-6-oxohexyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,3-oxazol-2-yl)-6-oxohexyl]pyrrolidin-2-one is O=C1CC[C@](CCCCCC(=O)c2ncco2)(c2ncc(-c3ccc(F)cc3)[nH]2)N1.
What is the InChIKey of (5R)-5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,3-oxazol-2-yl)-6-oxohexyl]pyrrolidin-2-one?
The InChIKey is CIBATLGGIMSFLT-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23FN4O3/c23-16-7-5-15(6-8-16)17-14-25-21(26-17)22(11-9-19(29)27-22)10-3-1-2-4-18(28)20-24-12-13-30-20/h5-8,12-14H,1-4,9-11H2,(H,25,26)(H,27,29)/t22-/m1/s1.
What are the key properties of (5R)-5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,3-oxazol-2-yl)-6-oxohexyl]pyrrolidin-2-one?
(5R)-5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,3-oxazol-2-yl)-6-oxohexyl]pyrrolidin-2-one has a molecular weight of 410.45 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-[6-(1,3-oxazol-2-yl)-6-oxohexyl]pyrrolidin-2-one is sourced from PubChem (CID 146317348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).