N-(2-methyl-1,3-benzoxazol-6-yl)-2-(2-oxopyrrolidin-1-yl)butanamide

C16H19N3O3 — CID 71991480

IUPACN-(2-methyl-1,3-benzoxazol-6-yl)-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)Nc1ccc2nc(C)oc2c1)N1CCCC1=O
InChIInChI=1S/C16H19N3O3/c1-3-13(19-8-4-5-15(19)20)16(21)18-11-6-7-12-14(9-11)22-10(2)17-12/h6-7,9,13H,3-5,8H2,1-2H3,(H,18,21)
InChIKeyOOGWOVKSNXEONC-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.48
Rot. Bonds4

About N-(2-methyl-1,3-benzoxazol-6-yl)-2-(2-oxopyrrolidin-1-yl)butanamide

N-(2-methyl-1,3-benzoxazol-6-yl)-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 71991480) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-6-yl)-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-6-yl)-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID71991480
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(2-methyl-1,3-benzoxazol-6-yl)-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)Nc1ccc2nc(C)oc2c1)N1CCCC1=O
InChIInChI=1S/C16H19N3O3/c1-3-13(19-8-4-5-15(19)20)16(21)18-11-6-7-12-14(9-11)22-10(2)17-12/h6-7,9,13H,3-5,8H2,1-2H3,(H,18,21)
InChIKeyOOGWOVKSNXEONC-UHFFFAOYSA-N
XLogP2.48
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)-2-(2-oxopyrrolidin-1-yl)butanamide (CID 71991480) is N-(2-methyl-1,3-benzoxazol-6-yl)-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-6-yl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-6-yl)-2-(2-oxopyrrolidin-1-yl)butanamide is CCC(C(=O)Nc1ccc2nc(C)oc2c1)N1CCCC1=O.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-6-yl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is OOGWOVKSNXEONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-13(19-8-4-5-15(19)20)16(21)18-11-6-7-12-14(9-11)22-10(2)17-12/h6-7,9,13H,3-5,8H2,1-2H3,(H,18,21).
What are the key properties of N-(2-methyl-1,3-benzoxazol-6-yl)-2-(2-oxopyrrolidin-1-yl)butanamide?
N-(2-methyl-1,3-benzoxazol-6-yl)-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 301.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-6-yl)-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 71991480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).