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

C15H21N3O3 — CID 43447830

IUPAC2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)n1c(=O)oc2ccc(N)cc21
InChIInChI=1S/C15H21N3O3/c1-4-11(5-2)17-14(19)9(3)18-12-8-10(16)6-7-13(12)21-15(18)20/h6-9,11H,4-5,16H2,1-3H3,(H,17,19)
InChIKeyWEOPCFDMZZMGOF-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.04
Rot. Bonds5

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

2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylpropanamide (PubChem CID 43447830) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylpropanamide
PubChem CID43447830
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)n1c(=O)oc2ccc(N)cc21
InChIInChI=1S/C15H21N3O3/c1-4-11(5-2)17-14(19)9(3)18-12-8-10(16)6-7-13(12)21-15(18)20/h6-9,11H,4-5,16H2,1-3H3,(H,17,19)
InChIKeyWEOPCFDMZZMGOF-UHFFFAOYSA-N
XLogP2.04
TPSA90.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.04
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-pentan-3-ylpropanamide?
The IUPAC name of 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylpropanamide (CID 43447830) is 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)n1c(=O)oc2ccc(N)cc21.
What is the InChIKey of 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylpropanamide?
The InChIKey is WEOPCFDMZZMGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-11(5-2)17-14(19)9(3)18-12-8-10(16)6-7-13(12)21-15(18)20/h6-9,11H,4-5,16H2,1-3H3,(H,17,19).
What are the key properties of 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylpropanamide?
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylpropanamide has a molecular weight of 291.35 g/mol, XLogP of 2.04, 5 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-pentan-3-ylpropanamide is sourced from PubChem (CID 43447830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).