N-[(4-fluorophenyl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C16H16FN3O3 — CID 113192507

IUPACN-[(4-fluorophenyl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CC(C(=O)NCc3ccc(F)cc3)CC2=O)no1
InChIInChI=1S/C16H16FN3O3/c1-10-6-14(19-23-10)20-9-12(7-15(20)21)16(22)18-8-11-2-4-13(17)5-3-11/h2-6,12H,7-9H2,1H3,(H,18,22)
InChIKeyIMRHACIJHOMSAU-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.79
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide

N-[(4-fluorophenyl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113192507) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113192507
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CC(C(=O)NCc3ccc(F)cc3)CC2=O)no1
InChIInChI=1S/C16H16FN3O3/c1-10-6-14(19-23-10)20-9-12(7-15(20)21)16(22)18-8-11-2-4-13(17)5-3-11/h2-6,12H,7-9H2,1H3,(H,18,22)
InChIKeyIMRHACIJHOMSAU-UHFFFAOYSA-N
XLogP1.79
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113192503
1-(3-fluoro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 18157395
N-(2-fluorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192590
N-[3-(dimethylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192494
1-(3,5-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191135
1-(4-chloro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187685
1-(5-chloro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187572
1-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109483
1-(2-chloro-4,6-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187895
N-butan-2-yl-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192481
1-(4-fluorophenyl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 6458569
N-[(4-fluorophenyl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42881995

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 113192507) is N-[(4-fluorophenyl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(N2CC(C(=O)NCc3ccc(F)cc3)CC2=O)no1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IMRHACIJHOMSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-10-6-14(19-23-10)20-9-12(7-15(20)21)16(22)18-8-11-2-4-13(17)5-3-11/h2-6,12H,7-9H2,1H3,(H,18,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 317.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113192507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).