3-(1,3-benzoxazol-2-yl)-N-(1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide

C17H17N3O3 — CID 138976312

IUPAC3-(1,3-benzoxazol-2-yl)-N-(1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide
SMILESCC(C)(Cc1nc2ccccc2o1)C(=O)/N=c1/ccccn1O
InChIInChI=1S/C17H17N3O3/c1-17(2,16(21)19-14-9-5-6-10-20(14)22)11-15-18-12-7-3-4-8-13(12)23-15/h3-10,22H,11H2,1-2H3/b19-14-
InChIKeyUOAOBZGBKHOVLS-RGEXLXHISA-N
MW311.34 g/mol
LogP2.56
Rot. Bonds3

About 3-(1,3-benzoxazol-2-yl)-N-(1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide

3-(1,3-benzoxazol-2-yl)-N-(1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide (PubChem CID 138976312) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-N-(1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-N-(1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide
PubChem CID138976312
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-(1,3-benzoxazol-2-yl)-N-(1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide
SMILESCC(C)(Cc1nc2ccccc2o1)C(=O)/N=c1/ccccn1O
InChIInChI=1S/C17H17N3O3/c1-17(2,16(21)19-14-9-5-6-10-20(14)22)11-15-18-12-7-3-4-8-13(12)23-15/h3-10,22H,11H2,1-2H3/b19-14-
InChIKeyUOAOBZGBKHOVLS-RGEXLXHISA-N
XLogP2.56
TPSA80.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-(1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-(1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide (CID 138976312) is 3-(1,3-benzoxazol-2-yl)-N-(1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-N-(1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-N-(1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide is CC(C)(Cc1nc2ccccc2o1)C(=O)/N=c1/ccccn1O.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-N-(1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide?
The InChIKey is UOAOBZGBKHOVLS-RGEXLXHISA-N. The full InChI is InChI=1S/C17H17N3O3/c1-17(2,16(21)19-14-9-5-6-10-20(14)22)11-15-18-12-7-3-4-8-13(12)23-15/h3-10,22H,11H2,1-2H3/b19-14-.
What are the key properties of 3-(1,3-benzoxazol-2-yl)-N-(1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide?
3-(1,3-benzoxazol-2-yl)-N-(1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide has a molecular weight of 311.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-N-(1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide is sourced from PubChem (CID 138976312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).