2-morpholin-4-yl-1,3-benzoxazol-5-amine

C11H13N3O2 — CID 16768943

IUPAC2-morpholin-4-yl-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(N3CCOCC3)nc2c1
InChIInChI=1S/C11H13N3O2/c12-8-1-2-10-9(7-8)13-11(16-10)14-3-5-15-6-4-14/h1-2,7H,3-6,12H2
InChIKeyQOLUHUNFWRRDQW-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.25
Rot. Bonds1

About 2-morpholin-4-yl-1,3-benzoxazol-5-amine

2-morpholin-4-yl-1,3-benzoxazol-5-amine (PubChem CID 16768943) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-morpholin-4-yl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-morpholin-4-yl-1,3-benzoxazol-5-amine
PubChem CID16768943
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-morpholin-4-yl-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(N3CCOCC3)nc2c1
InChIInChI=1S/C11H13N3O2/c12-8-1-2-10-9(7-8)13-11(16-10)14-3-5-15-6-4-14/h1-2,7H,3-6,12H2
InChIKeyQOLUHUNFWRRDQW-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1,3-benzoxazol-5-amine?
The IUPAC name of 2-morpholin-4-yl-1,3-benzoxazol-5-amine (CID 16768943) is 2-morpholin-4-yl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-morpholin-4-yl-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-morpholin-4-yl-1,3-benzoxazol-5-amine is Nc1ccc2oc(N3CCOCC3)nc2c1.
What is the InChIKey of 2-morpholin-4-yl-1,3-benzoxazol-5-amine?
The InChIKey is QOLUHUNFWRRDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-8-1-2-10-9(7-8)13-11(16-10)14-3-5-15-6-4-14/h1-2,7H,3-6,12H2.
What are the key properties of 2-morpholin-4-yl-1,3-benzoxazol-5-amine?
2-morpholin-4-yl-1,3-benzoxazol-5-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 2-morpholin-4-yl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 16768943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).