2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide

C13H17N3O3 — CID 43447842

IUPAC2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1c(=O)oc2ccc(N)cc21
InChIInChI=1S/C13H17N3O3/c1-3-6-15-12(17)8(2)16-10-7-9(14)4-5-11(10)19-13(16)18/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,17)
InChIKeyGYVVNWRNJZVWQM-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.26
Rot. Bonds4

About 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide

2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide (PubChem CID 43447842) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide
PubChem CID43447842
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1c(=O)oc2ccc(N)cc21
InChIInChI=1S/C13H17N3O3/c1-3-6-15-12(17)8(2)16-10-7-9(14)4-5-11(10)19-13(16)18/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,17)
InChIKeyGYVVNWRNJZVWQM-UHFFFAOYSA-N
XLogP1.26
TPSA90.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide?
The IUPAC name of 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide (CID 43447842) is 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide.
What is the SMILES notation for 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide?
The canonical SMILES for 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide is CCCNC(=O)C(C)n1c(=O)oc2ccc(N)cc21.
What is the InChIKey of 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide?
The InChIKey is GYVVNWRNJZVWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-3-6-15-12(17)8(2)16-10-7-9(14)4-5-11(10)19-13(16)18/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,17).
What are the key properties of 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide?
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide has a molecular weight of 263.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide is sourced from PubChem (CID 43447842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).