N-[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

C14H11Cl2N3O3 — CID 75448375

IUPACN-[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccon1
InChIInChI=1S/C14H11Cl2N3O3/c15-9-2-1-8(7-10(9)16)19-5-3-12(14(19)21)17-13(20)11-4-6-22-18-11/h1-2,4,6-7,12H,3,5H2,(H,17,20)
InChIKeyAHVSOQZBLKNXHX-UHFFFAOYSA-N
MW340.17 g/mol
LogP2.52
Rot. Bonds3

About N-[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

N-[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 75448375) has the molecular formula C14H11Cl2N3O3 and a molecular weight of 340.17 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID75448375
Molecular FormulaC14H11Cl2N3O3
Molecular Weight340.17 g/mol
Exact Mass339.02
IUPAC NameN-[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccon1
InChIInChI=1S/C14H11Cl2N3O3/c15-9-2-1-8(7-10(9)16)19-5-3-12(14(19)21)17-13(20)11-4-6-22-18-11/h1-2,4,6-7,12H,3,5H2,(H,17,20)
InChIKeyAHVSOQZBLKNXHX-UHFFFAOYSA-N
XLogP2.52
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 75448375) is N-[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is O=C(NC1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccon1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is AHVSOQZBLKNXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O3/c15-9-2-1-8(7-10(9)16)19-5-3-12(14(19)21)17-13(20)11-4-6-22-18-11/h1-2,4,6-7,12H,3,5H2,(H,17,20).
What are the key properties of N-[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
N-[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 340.17 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75448375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).