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

Analyze 4-morpholin-4-yl-1,2-benzoxazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-6-morpholin-4-ylbenzonitrile;methyl 3-hydroxy-10-morpholin-4-yl-4-oxopyrimido[1,2-b][1,2]benzoxazole-2-carboxylate;4-morpholin-4-yl-1,2-benzoxazol-3-amine
CID 158047513
4-ethynyl-1,2-benzoxazol-3-amine
CID 167736135
2-morpholin-4-yl-6-(trifluoromethyl)aniline
CID 131862502
2-chloro-6-(1,4-oxazepan-4-yl)aniline
CID 104834491
3-morpholin-4-ylquinolin-2-amine
CID 67346064
8-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)anthracene-1,9,10-triol
CID 90868964
3-amino-2-(2-morpholin-4-ylphenyl)-1,5,2,4-dioxadiazonine-6,9-dione
CID 142158060
4-amino-N-(2-morpholin-4-ylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687967
1-(3-propan-2-yl-1,2-benzoxazol-4-yl)azetidin-3-amine
CID 96599596
2-amino-6-morpholin-4-ylbenzenecarboximidamide
CID 143704993
4-(2-pyrimidin-5-ylphenyl)morpholine
CID 68578973
2-fluoro-6-morpholin-4-ylphenol
CID 46737228

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).