2-(1,2-benzoxazol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide

C21H21N3O3 — CID 126792782

IUPAC2-(1,2-benzoxazol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide
SMILESCc1ccc(CN2CCC(NC(=O)Cc3noc4ccccc34)C2=O)cc1
InChIInChI=1S/C21H21N3O3/c1-14-6-8-15(9-7-14)13-24-11-10-17(21(24)26)22-20(25)12-18-16-4-2-3-5-19(16)27-23-18/h2-9,17H,10-13H2,1H3,(H,22,25)
InChIKeyNAQLXJOERAGRSB-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.60
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide (PubChem CID 126792782) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide
PubChem CID126792782
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide
SMILESCc1ccc(CN2CCC(NC(=O)Cc3noc4ccccc34)C2=O)cc1
InChIInChI=1S/C21H21N3O3/c1-14-6-8-15(9-7-14)13-24-11-10-17(21(24)26)22-20(25)12-18-16-4-2-3-5-19(16)27-23-18/h2-9,17H,10-13H2,1H3,(H,22,25)
InChIKeyNAQLXJOERAGRSB-UHFFFAOYSA-N
XLogP2.60
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide (CID 126792782) is 2-(1,2-benzoxazol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide is Cc1ccc(CN2CCC(NC(=O)Cc3noc4ccccc34)C2=O)cc1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide?
The InChIKey is NAQLXJOERAGRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-6-8-15(9-7-14)13-24-11-10-17(21(24)26)22-20(25)12-18-16-4-2-3-5-19(16)27-23-18/h2-9,17H,10-13H2,1H3,(H,22,25).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 126792782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).