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

C15H14FN3O3 — CID 113192590

IUPACN-(2-fluorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CC(C(=O)Nc3ccccc3F)CC2=O)no1
InChIInChI=1S/C15H14FN3O3/c1-9-6-13(18-22-9)19-8-10(7-14(19)20)15(21)17-12-5-3-2-4-11(12)16/h2-6,10H,7-8H2,1H3,(H,17,21)
InChIKeyHOKVTAVLLUZBEC-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.11
Rot. Bonds3

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

N-(2-fluorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113192590) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113192590
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC NameN-(2-fluorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CC(C(=O)Nc3ccccc3F)CC2=O)no1
InChIInChI=1S/C15H14FN3O3/c1-9-6-13(18-22-9)19-8-10(7-14(19)20)15(21)17-12-5-3-2-4-11(12)16/h2-6,10H,7-8H2,1H3,(H,17,21)
InChIKeyHOKVTAVLLUZBEC-UHFFFAOYSA-N
XLogP2.11
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 113192590) is N-(2-fluorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(N2CC(C(=O)Nc3ccccc3F)CC2=O)no1.
What is the InChIKey of N-(2-fluorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HOKVTAVLLUZBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c1-9-6-13(18-22-9)19-8-10(7-14(19)20)15(21)17-12-5-3-2-4-11(12)16/h2-6,10H,7-8H2,1H3,(H,17,21).
What are the key properties of N-(2-fluorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
N-(2-fluorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 303.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113192590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).