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

C13H17N3O3 — CID 43447893

IUPAC2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1c(=O)oc2ccc(N)cc21
InChIInChI=1S/C13H17N3O3/c1-8(2)6-15-12(17)7-16-10-5-9(14)3-4-11(10)19-13(16)18/h3-5,8H,6-7,14H2,1-2H3,(H,15,17)
InChIKeyMQHOJMWBDIZHFC-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.95
Rot. Bonds4

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

2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methylpropyl)acetamide (PubChem CID 43447893) 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-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methylpropyl)acetamide
PubChem CID43447893
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1c(=O)oc2ccc(N)cc21
InChIInChI=1S/C13H17N3O3/c1-8(2)6-15-12(17)7-16-10-5-9(14)3-4-11(10)19-13(16)18/h3-5,8H,6-7,14H2,1-2H3,(H,15,17)
InChIKeyMQHOJMWBDIZHFC-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methoxyethyl)acetamide
CID 61487292
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 61307344
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentylacetamide
CID 43447858
N-(2-methylpropylcarbamoyl)-2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 35354487
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N,N-diethylacetamide
CID 43447892
2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 62676565
2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-methylpropyl)acetamide
CID 110774091
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylacetamide
CID 61489818
N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115612682
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropyl-N-ethylacetamide
CID 61488264
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide
CID 43447842
2-(5-fluoro-2-oxo-1,3-benzoxazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 167967418

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methylpropyl)acetamide (CID 43447893) is 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)Cn1c(=O)oc2ccc(N)cc21.
What is the InChIKey of 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is MQHOJMWBDIZHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8(2)6-15-12(17)7-16-10-5-9(14)3-4-11(10)19-13(16)18/h3-5,8H,6-7,14H2,1-2H3,(H,15,17).
What are the key properties of 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methylpropyl)acetamide?
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 263.30 g/mol, XLogP of 0.95, 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-(2-methylpropyl)acetamide is sourced from PubChem (CID 43447893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).