4-(1,3-oxazol-5-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide

C17H19N3O3 — CID 131949418

IUPAC4-(1,3-oxazol-5-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
SMILESCCCN1CC(NC(=O)c2ccc(-c3cnco3)cc2)CC1=O
InChIInChI=1S/C17H19N3O3/c1-2-7-20-10-14(8-16(20)21)19-17(22)13-5-3-12(4-6-13)15-9-18-11-23-15/h3-6,9,11,14H,2,7-8,10H2,1H3,(H,19,22)
InChIKeyNLHLIFBDZZWIPO-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.08
Rot. Bonds5

About 4-(1,3-oxazol-5-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide

4-(1,3-oxazol-5-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide (PubChem CID 131949418) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-(1,3-oxazol-5-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name4-(1,3-oxazol-5-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
PubChem CID131949418
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name4-(1,3-oxazol-5-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
SMILESCCCN1CC(NC(=O)c2ccc(-c3cnco3)cc2)CC1=O
InChIInChI=1S/C17H19N3O3/c1-2-7-20-10-14(8-16(20)21)19-17(22)13-5-3-12(4-6-13)15-9-18-11-23-15/h3-6,9,11,14H,2,7-8,10H2,1H3,(H,19,22)
InChIKeyNLHLIFBDZZWIPO-UHFFFAOYSA-N
XLogP2.08
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-5-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide?
The IUPAC name of 4-(1,3-oxazol-5-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide (CID 131949418) is 4-(1,3-oxazol-5-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 4-(1,3-oxazol-5-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 4-(1,3-oxazol-5-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide is CCCN1CC(NC(=O)c2ccc(-c3cnco3)cc2)CC1=O.
What is the InChIKey of 4-(1,3-oxazol-5-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide?
The InChIKey is NLHLIFBDZZWIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-2-7-20-10-14(8-16(20)21)19-17(22)13-5-3-12(4-6-13)15-9-18-11-23-15/h3-6,9,11,14H,2,7-8,10H2,1H3,(H,19,22).
What are the key properties of 4-(1,3-oxazol-5-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide?
4-(1,3-oxazol-5-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide has a molecular weight of 313.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-5-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 131949418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).