(3S)-3-[(4-fluorophenyl)methyl]-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione

C18H19FN2O3 — CID 97319051

IUPAC(3S)-3-[(4-fluorophenyl)methyl]-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione
SMILESCC(C)c1cnc(CN2C(=O)C[C@H](Cc3ccc(F)cc3)C2=O)o1
InChIInChI=1S/C18H19FN2O3/c1-11(2)15-9-20-16(24-15)10-21-17(22)8-13(18(21)23)7-12-3-5-14(19)6-4-12/h3-6,9,11,13H,7-8,10H2,1-2H3/t13-/m0/s1
InChIKeyCHXMWPMMFMAMKM-ZDUSSCGKSA-N
MW330.36 g/mol
LogP3.05
Rot. Bonds5

About (3S)-3-[(4-fluorophenyl)methyl]-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione

(3S)-3-[(4-fluorophenyl)methyl]-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 97319051) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is (3S)-3-[(4-fluorophenyl)methyl]-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-[(4-fluorophenyl)methyl]-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione
PubChem CID97319051
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name(3S)-3-[(4-fluorophenyl)methyl]-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione
SMILESCC(C)c1cnc(CN2C(=O)C[C@H](Cc3ccc(F)cc3)C2=O)o1
InChIInChI=1S/C18H19FN2O3/c1-11(2)15-9-20-16(24-15)10-21-17(22)8-13(18(21)23)7-12-3-5-14(19)6-4-12/h3-6,9,11,13H,7-8,10H2,1-2H3/t13-/m0/s1
InChIKeyCHXMWPMMFMAMKM-ZDUSSCGKSA-N
XLogP3.05
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-fluorophenyl)methyl]-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-[(4-fluorophenyl)methyl]-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione (CID 97319051) is (3S)-3-[(4-fluorophenyl)methyl]-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-[(4-fluorophenyl)methyl]-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-[(4-fluorophenyl)methyl]-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione is CC(C)c1cnc(CN2C(=O)C[C@H](Cc3ccc(F)cc3)C2=O)o1.
What is the InChIKey of (3S)-3-[(4-fluorophenyl)methyl]-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is CHXMWPMMFMAMKM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-11(2)15-9-20-16(24-15)10-21-17(22)8-13(18(21)23)7-12-3-5-14(19)6-4-12/h3-6,9,11,13H,7-8,10H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-3-[(4-fluorophenyl)methyl]-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione?
(3S)-3-[(4-fluorophenyl)methyl]-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 330.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-fluorophenyl)methyl]-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 97319051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).