5-(morpholin-2-ylmethylamino)-3H-1,3-benzoxazol-2-one

C12H15N3O3 — CID 115237502

IUPAC5-(morpholin-2-ylmethylamino)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(NCC3CNCCO3)ccc2o1
InChIInChI=1S/C12H15N3O3/c16-12-15-10-5-8(1-2-11(10)18-12)14-7-9-6-13-3-4-17-9/h1-2,5,9,13-14H,3-4,6-7H2,(H,15,16)
InChIKeyCKKJOCLINXKQNL-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.52
Rot. Bonds3

About 5-(morpholin-2-ylmethylamino)-3H-1,3-benzoxazol-2-one

5-(morpholin-2-ylmethylamino)-3H-1,3-benzoxazol-2-one (PubChem CID 115237502) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-(morpholin-2-ylmethylamino)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(morpholin-2-ylmethylamino)-3H-1,3-benzoxazol-2-one
PubChem CID115237502
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name5-(morpholin-2-ylmethylamino)-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(NCC3CNCCO3)ccc2o1
InChIInChI=1S/C12H15N3O3/c16-12-15-10-5-8(1-2-11(10)18-12)14-7-9-6-13-3-4-17-9/h1-2,5,9,13-14H,3-4,6-7H2,(H,15,16)
InChIKeyCKKJOCLINXKQNL-UHFFFAOYSA-N
XLogP0.52
TPSA79.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(oxolan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 82835738
5-(piperidin-4-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 79707132
5-(morpholin-2-ylmethylamino)-1,3-dihydroindol-2-one
CID 115237456
2-methyl-4-(morpholin-2-ylmethylamino)benzamide
CID 113287167
5-[(2,4,6-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741465
5-[amino(morpholin-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 116941050
5-(2-chloroethylamino)-3H-1,3-benzoxazol-2-one
CID 115214645
2-chloro-4-(morpholin-2-ylmethylamino)benzamide
CID 115324268
1-(oxan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)methanesulfonamide
CID 154838414
5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one
CID 83822765
4-(2-methylpropyl)-N-(morpholin-2-ylmethyl)aniline
CID 115237440
5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741452

Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-2-ylmethylamino)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-(morpholin-2-ylmethylamino)-3H-1,3-benzoxazol-2-one (CID 115237502) is 5-(morpholin-2-ylmethylamino)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(morpholin-2-ylmethylamino)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(morpholin-2-ylmethylamino)-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(NCC3CNCCO3)ccc2o1.
What is the InChIKey of 5-(morpholin-2-ylmethylamino)-3H-1,3-benzoxazol-2-one?
The InChIKey is CKKJOCLINXKQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-12-15-10-5-8(1-2-11(10)18-12)14-7-9-6-13-3-4-17-9/h1-2,5,9,13-14H,3-4,6-7H2,(H,15,16).
What are the key properties of 5-(morpholin-2-ylmethylamino)-3H-1,3-benzoxazol-2-one?
5-(morpholin-2-ylmethylamino)-3H-1,3-benzoxazol-2-one has a molecular weight of 249.27 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-2-ylmethylamino)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 115237502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).