5-amino-3-(1,2-oxazol-4-ylmethyl)-1,3-benzoxazol-2-one

C11H9N3O3 — CID 60871491

IUPAC5-amino-3-(1,2-oxazol-4-ylmethyl)-1,3-benzoxazol-2-one
SMILESNc1ccc2oc(=O)n(Cc3cnoc3)c2c1
InChIInChI=1S/C11H9N3O3/c12-8-1-2-10-9(3-8)14(11(15)17-10)5-7-4-13-16-6-7/h1-4,6H,5,12H2
InChIKeyFVFCKPVRYLSYLG-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.21
Rot. Bonds2

About 5-amino-3-(1,2-oxazol-4-ylmethyl)-1,3-benzoxazol-2-one

5-amino-3-(1,2-oxazol-4-ylmethyl)-1,3-benzoxazol-2-one (PubChem CID 60871491) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 5-amino-3-(1,2-oxazol-4-ylmethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-amino-3-(1,2-oxazol-4-ylmethyl)-1,3-benzoxazol-2-one
PubChem CID60871491
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name5-amino-3-(1,2-oxazol-4-ylmethyl)-1,3-benzoxazol-2-one
SMILESNc1ccc2oc(=O)n(Cc3cnoc3)c2c1
InChIInChI=1S/C11H9N3O3/c12-8-1-2-10-9(3-8)14(11(15)17-10)5-7-4-13-16-6-7/h1-4,6H,5,12H2
InChIKeyFVFCKPVRYLSYLG-UHFFFAOYSA-N
XLogP1.21
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-amino-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile
CID 43447883
3-[(3-aminophenyl)methyl]-5-methyl-1,3-benzoxazol-2-one
CID 52941448
5-amino-3-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-benzoxazol-2-one
CID 103002356
5-amino-3-[(3-bromo-2,6-difluorophenyl)methyl]-1,3-benzoxazol-2-one
CID 106263955
5-amino-3-(2-tert-butylsulfonylethyl)-1,3-benzoxazol-2-one
CID 106724661
5-amino-3-(2-propylsulfonylethyl)-1,3-benzoxazol-2-one
CID 106724662
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N,N-diethylacetamide
CID 43447892
6-amino-3-[(2-methyltetrazol-5-yl)methyl]-1,3-benzoxazol-2-one
CID 107042825
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methylpropyl)acetamide
CID 43447893
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentylacetamide
CID 43447858
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-(2-methoxyethyl)acetamide
CID 61487292

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(1,2-oxazol-4-ylmethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 5-amino-3-(1,2-oxazol-4-ylmethyl)-1,3-benzoxazol-2-one (CID 60871491) is 5-amino-3-(1,2-oxazol-4-ylmethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-amino-3-(1,2-oxazol-4-ylmethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 5-amino-3-(1,2-oxazol-4-ylmethyl)-1,3-benzoxazol-2-one is Nc1ccc2oc(=O)n(Cc3cnoc3)c2c1.
What is the InChIKey of 5-amino-3-(1,2-oxazol-4-ylmethyl)-1,3-benzoxazol-2-one?
The InChIKey is FVFCKPVRYLSYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c12-8-1-2-10-9(3-8)14(11(15)17-10)5-7-4-13-16-6-7/h1-4,6H,5,12H2.
What are the key properties of 5-amino-3-(1,2-oxazol-4-ylmethyl)-1,3-benzoxazol-2-one?
5-amino-3-(1,2-oxazol-4-ylmethyl)-1,3-benzoxazol-2-one has a molecular weight of 231.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(1,2-oxazol-4-ylmethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 60871491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).