4-amino-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-one

C11H11N3O2 — CID 168701308

IUPAC4-amino-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2nc3ccccc3o2)C1
InChIInChI=1S/C11H11N3O2/c12-7-5-10(15)14(6-7)11-13-8-3-1-2-4-9(8)16-11/h1-4,7H,5-6,12H2
InChIKeyKNXRTGYMCYRFSO-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.89
Rot. Bonds1

About 4-amino-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-one

4-amino-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-one (PubChem CID 168701308) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-amino-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-one
PubChem CID168701308
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-amino-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2nc3ccccc3o2)C1
InChIInChI=1S/C11H11N3O2/c12-7-5-10(15)14(6-7)11-13-8-3-1-2-4-9(8)16-11/h1-4,7H,5-6,12H2
InChIKeyKNXRTGYMCYRFSO-UHFFFAOYSA-N
XLogP0.89
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-one (CID 168701308) is 4-amino-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-one is NC1CC(=O)N(c2nc3ccccc3o2)C1.
What is the InChIKey of 4-amino-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-one?
The InChIKey is KNXRTGYMCYRFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-7-5-10(15)14(6-7)11-13-8-3-1-2-4-9(8)16-11/h1-4,7H,5-6,12H2.
What are the key properties of 4-amino-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-one?
4-amino-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-one has a molecular weight of 217.23 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168701308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).