2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

C21H23N3O3 — CID 55870259

IUPAC2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1ccc2oc(=O)n(CC(=O)Nc3ccc(N4CCCC4)cc3C)c2c1
InChIInChI=1S/C21H23N3O3/c1-14-5-8-19-18(11-14)24(21(26)27-19)13-20(25)22-17-7-6-16(12-15(17)2)23-9-3-4-10-23/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,22,25)
InChIKeyADDRTUWCQOZWGQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.45
Rot. Bonds4

About 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 55870259) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID55870259
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1ccc2oc(=O)n(CC(=O)Nc3ccc(N4CCCC4)cc3C)c2c1
InChIInChI=1S/C21H23N3O3/c1-14-5-8-19-18(11-14)24(21(26)27-19)13-20(25)22-17-7-6-16(12-15(17)2)23-9-3-4-10-23/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,22,25)
InChIKeyADDRTUWCQOZWGQ-UHFFFAOYSA-N
XLogP3.45
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1081528
2-(4-methylphenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 16563389
4-(2-methyl-4-pyrrolidin-1-ylanilino)-4-oxobutanoic acid
CID 60662781
2-(4-hydroxypiperidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 39983128
N-(4-bromo-2-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580501
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 18886697
2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 2145483
2-(3,3-dimethylmorpholin-4-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 55987630
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 110899279
3,5-dimethyl-N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]benzamide
CID 42039688
2-(4-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 26070733

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (CID 55870259) is 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is Cc1ccc2oc(=O)n(CC(=O)Nc3ccc(N4CCCC4)cc3C)c2c1.
What is the InChIKey of 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is ADDRTUWCQOZWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-5-8-19-18(11-14)24(21(26)27-19)13-20(25)22-17-7-6-16(12-15(17)2)23-9-3-4-10-23/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,22,25).
What are the key properties of 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 55870259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).