4-morpholin-4-yl-1,2-benzoxazol-3-amine

C11H13N3O2 — CID 58100992

IUPAC4-morpholin-4-yl-1,2-benzoxazol-3-amine
SMILESNc1noc2cccc(N3CCOCC3)c12
InChIInChI=1S/C11H13N3O2/c12-11-10-8(14-4-6-15-7-5-14)2-1-3-9(10)16-13-11/h1-3H,4-7H2,(H2,12,13)
InChIKeyLJAZJIJENXFTOS-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.25
Rot. Bonds1

About 4-morpholin-4-yl-1,2-benzoxazol-3-amine

4-morpholin-4-yl-1,2-benzoxazol-3-amine (PubChem CID 58100992) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-morpholin-4-yl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-1,2-benzoxazol-3-amine
PubChem CID58100992
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-morpholin-4-yl-1,2-benzoxazol-3-amine
SMILESNc1noc2cccc(N3CCOCC3)c12
InChIInChI=1S/C11H13N3O2/c12-11-10-8(14-4-6-15-7-5-14)2-1-3-9(10)16-13-11/h1-3H,4-7H2,(H2,12,13)
InChIKeyLJAZJIJENXFTOS-UHFFFAOYSA-N
XLogP1.25
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-1,2-benzoxazol-3-amine?
The IUPAC name of 4-morpholin-4-yl-1,2-benzoxazol-3-amine (CID 58100992) is 4-morpholin-4-yl-1,2-benzoxazol-3-amine.
What is the SMILES notation for 4-morpholin-4-yl-1,2-benzoxazol-3-amine?
The canonical SMILES for 4-morpholin-4-yl-1,2-benzoxazol-3-amine is Nc1noc2cccc(N3CCOCC3)c12.
What is the InChIKey of 4-morpholin-4-yl-1,2-benzoxazol-3-amine?
The InChIKey is LJAZJIJENXFTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-11-10-8(14-4-6-15-7-5-14)2-1-3-9(10)16-13-11/h1-3H,4-7H2,(H2,12,13).
What are the key properties of 4-morpholin-4-yl-1,2-benzoxazol-3-amine?
4-morpholin-4-yl-1,2-benzoxazol-3-amine has a molecular weight of 219.24 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 58100992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).