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

C18H18FN3O3 — CID 167762202

IUPAC1-(4-fluorophenyl)-3-[3-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrrolidine-2,5-dione
SMILESCc1cc(C2CCN(C3CC(=O)N(c4ccc(F)cc4)C3=O)C2)on1
InChIInChI=1S/C18H18FN3O3/c1-11-8-16(25-20-11)12-6-7-21(10-12)15-9-17(23)22(18(15)24)14-4-2-13(19)3-5-14/h2-5,8,12,15H,6-7,9-10H2,1H3
InChIKeyYYYBJBWMERMIPC-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.24
Rot. Bonds3

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

1-(4-fluorophenyl)-3-[3-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 167762202) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[3-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[3-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrrolidine-2,5-dione
PubChem CID167762202
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name1-(4-fluorophenyl)-3-[3-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrrolidine-2,5-dione
SMILESCc1cc(C2CCN(C3CC(=O)N(c4ccc(F)cc4)C3=O)C2)on1
InChIInChI=1S/C18H18FN3O3/c1-11-8-16(25-20-11)12-6-7-21(10-12)15-9-17(23)22(18(15)24)14-4-2-13(19)3-5-14/h2-5,8,12,15H,6-7,9-10H2,1H3
InChIKeyYYYBJBWMERMIPC-UHFFFAOYSA-N
XLogP2.24
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 7357540
(3S)-1-(4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358155
1-(4-fluorophenyl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione
CID 3881670
(3R)-1-(4-fluorophenyl)-3-[4-(1-methylsulfonylpiperidin-4-yl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 98307802
1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 683089
(3R)-1-(4-fluorophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione
CID 692158
3-(3-methylpiperidin-1-yl)-1-[4-[3-(3-methylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
CID 4144237
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 17020092
(3R)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 41002477
(3R)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione
CID 1282119
(3S)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione
CID 1282118
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1381072

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[3-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-3-[3-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrrolidine-2,5-dione (CID 167762202) is 1-(4-fluorophenyl)-3-[3-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[3-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-3-[3-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrrolidine-2,5-dione is Cc1cc(C2CCN(C3CC(=O)N(c4ccc(F)cc4)C3=O)C2)on1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[3-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is YYYBJBWMERMIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-11-8-16(25-20-11)12-6-7-21(10-12)15-9-17(23)22(18(15)24)14-4-2-13(19)3-5-14/h2-5,8,12,15H,6-7,9-10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-[3-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrrolidine-2,5-dione?
1-(4-fluorophenyl)-3-[3-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 343.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[3-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 167762202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).