2-(3,4-dichlorophenyl)-5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole-4-carboxamide

C18H19Cl2N3O3 — CID 126775743

IUPAC2-(3,4-dichlorophenyl)-5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NC1CCN(C(C)C)C1=O
InChIInChI=1S/C18H19Cl2N3O3/c1-9(2)23-7-6-14(18(23)25)21-16(24)15-10(3)26-17(22-15)11-4-5-12(19)13(20)8-11/h4-5,8-9,14H,6-7H2,1-3H3,(H,21,24)
InChIKeyFLBCHIBDAZWHEE-UHFFFAOYSA-N
MW396.27 g/mol
LogP3.70
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole-4-carboxamide

2-(3,4-dichlorophenyl)-5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole-4-carboxamide (PubChem CID 126775743) has the molecular formula C18H19Cl2N3O3 and a molecular weight of 396.27 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole-4-carboxamide
PubChem CID126775743
Molecular FormulaC18H19Cl2N3O3
Molecular Weight396.27 g/mol
Exact Mass395.08
IUPAC Name2-(3,4-dichlorophenyl)-5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NC1CCN(C(C)C)C1=O
InChIInChI=1S/C18H19Cl2N3O3/c1-9(2)23-7-6-14(18(23)25)21-16(24)15-10(3)26-17(22-15)11-4-5-12(19)13(20)8-11/h4-5,8-9,14H,6-7H2,1-3H3,(H,21,24)
InChIKeyFLBCHIBDAZWHEE-UHFFFAOYSA-N
XLogP3.70
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole-4-carboxamide (CID 126775743) is 2-(3,4-dichlorophenyl)-5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole-4-carboxamide is Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NC1CCN(C(C)C)C1=O.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is FLBCHIBDAZWHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O3/c1-9(2)23-7-6-14(18(23)25)21-16(24)15-10(3)26-17(22-15)11-4-5-12(19)13(20)8-11/h4-5,8-9,14H,6-7H2,1-3H3,(H,21,24).
What are the key properties of 2-(3,4-dichlorophenyl)-5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole-4-carboxamide?
2-(3,4-dichlorophenyl)-5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 396.27 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126775743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).