6-amino-5-(2,5-dimethylmorpholin-4-yl)-3H-1,3-benzoxazol-2-one

C13H17N3O3 — CID 115425193

IUPAC6-amino-5-(2,5-dimethylmorpholin-4-yl)-3H-1,3-benzoxazol-2-one
SMILESCC1CN(c2cc3[nH]c(=O)oc3cc2N)C(C)CO1
InChIInChI=1S/C13H17N3O3/c1-7-6-18-8(2)5-16(7)11-4-10-12(3-9(11)14)19-13(17)15-10/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,17)
InChIKeyQYZVXMVHLZCZJP-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.32
Rot. Bonds1

About 6-amino-5-(2,5-dimethylmorpholin-4-yl)-3H-1,3-benzoxazol-2-one

6-amino-5-(2,5-dimethylmorpholin-4-yl)-3H-1,3-benzoxazol-2-one (PubChem CID 115425193) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-amino-5-(2,5-dimethylmorpholin-4-yl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-amino-5-(2,5-dimethylmorpholin-4-yl)-3H-1,3-benzoxazol-2-one
PubChem CID115425193
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name6-amino-5-(2,5-dimethylmorpholin-4-yl)-3H-1,3-benzoxazol-2-one
SMILESCC1CN(c2cc3[nH]c(=O)oc3cc2N)C(C)CO1
InChIInChI=1S/C13H17N3O3/c1-7-6-18-8(2)5-16(7)11-4-10-12(3-9(11)14)19-13(17)15-10/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,17)
InChIKeyQYZVXMVHLZCZJP-UHFFFAOYSA-N
XLogP1.32
TPSA84.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.32
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 6-amino-5-(2,5-dimethylmorpholin-4-yl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-amino-5-(2,5-dimethylmorpholin-4-yl)-3H-1,3-benzoxazol-2-one (CID 115425193) is 6-amino-5-(2,5-dimethylmorpholin-4-yl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-amino-5-(2,5-dimethylmorpholin-4-yl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-amino-5-(2,5-dimethylmorpholin-4-yl)-3H-1,3-benzoxazol-2-one is CC1CN(c2cc3[nH]c(=O)oc3cc2N)C(C)CO1.
What is the InChIKey of 6-amino-5-(2,5-dimethylmorpholin-4-yl)-3H-1,3-benzoxazol-2-one?
The InChIKey is QYZVXMVHLZCZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-7-6-18-8(2)5-16(7)11-4-10-12(3-9(11)14)19-13(17)15-10/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,17).
What are the key properties of 6-amino-5-(2,5-dimethylmorpholin-4-yl)-3H-1,3-benzoxazol-2-one?
6-amino-5-(2,5-dimethylmorpholin-4-yl)-3H-1,3-benzoxazol-2-one has a molecular weight of 263.30 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2,5-dimethylmorpholin-4-yl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 115425193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).