N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide

C17H19N3O3 — CID 71853312

IUPACN-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CC(=O)N(CCc2ccccc2)C1)c1ccon1
InChIInChI=1S/C17H19N3O3/c21-16-10-14(11-18-17(22)15-7-9-23-19-15)12-20(16)8-6-13-4-2-1-3-5-13/h1-5,7,9,14H,6,8,10-12H2,(H,18,22)
InChIKeyMHSWYXMBBMJWBW-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.50
Rot. Bonds6

About N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide

N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 71853312) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID71853312
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CC(=O)N(CCc2ccccc2)C1)c1ccon1
InChIInChI=1S/C17H19N3O3/c21-16-10-14(11-18-17(22)15-7-9-23-19-15)12-20(16)8-6-13-4-2-1-3-5-13/h1-5,7,9,14H,6,8,10-12H2,(H,18,22)
InChIKeyMHSWYXMBBMJWBW-UHFFFAOYSA-N
XLogP1.50
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide (CID 71853312) is N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide is O=C(NCC1CC(=O)N(CCc2ccccc2)C1)c1ccon1.
What is the InChIKey of N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MHSWYXMBBMJWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-16-10-14(11-18-17(22)15-7-9-23-19-15)12-20(16)8-6-13-4-2-1-3-5-13/h1-5,7,9,14H,6,8,10-12H2,(H,18,22).
What are the key properties of N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71853312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).