5-[amino(morpholin-2-yl)methyl]-3H-1,3-benzoxazol-2-one

C12H15N3O3 — CID 116941050

IUPAC5-[amino(morpholin-2-yl)methyl]-3H-1,3-benzoxazol-2-one
SMILESNC(c1ccc2oc(=O)[nH]c2c1)C1CNCCO1
InChIInChI=1S/C12H15N3O3/c13-11(10-6-14-3-4-17-10)7-1-2-9-8(5-7)15-12(16)18-9/h1-2,5,10-11,14H,3-4,6,13H2,(H,15,16)
InChIKeyMHWIDTGZKCNVJH-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.11
Rot. Bonds2

About 5-[amino(morpholin-2-yl)methyl]-3H-1,3-benzoxazol-2-one

5-[amino(morpholin-2-yl)methyl]-3H-1,3-benzoxazol-2-one (PubChem CID 116941050) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-[amino(morpholin-2-yl)methyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[amino(morpholin-2-yl)methyl]-3H-1,3-benzoxazol-2-one
PubChem CID116941050
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name5-[amino(morpholin-2-yl)methyl]-3H-1,3-benzoxazol-2-one
SMILESNC(c1ccc2oc(=O)[nH]c2c1)C1CNCCO1
InChIInChI=1S/C12H15N3O3/c13-11(10-6-14-3-4-17-10)7-1-2-9-8(5-7)15-12(16)18-9/h1-2,5,10-11,14H,3-4,6,13H2,(H,15,16)
InChIKeyMHWIDTGZKCNVJH-UHFFFAOYSA-N
XLogP0.11
TPSA93.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(morpholin-2-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 115237502
(4-methoxy-3-methylphenyl)-morpholin-2-ylmethanamine
CID 116940973
5-[amino-(4-aminophenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 116936812
5-[amino(dimethylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 116909138
(1-methylbenzimidazol-5-yl)-morpholin-2-ylmethanamine
CID 116941045
6-[amino(oxan-4-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 62905471
6-[amino(2,3-dihydro-1-benzofuran-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 43322336
6-[amino(oxolan-3-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 61270850
5-[amino(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62213868
5-(1,3-diamino-2-methylpropyl)-3H-1,3-benzoxazol-2-one
CID 116933145
6-[amino-(4-oxocyclohexyl)methyl]-3H-1,3-benzoxazol-2-one
CID 116941983
5-[amino(1,4-dioxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62797798

Frequently Asked Questions

What is the IUPAC name of 5-[amino(morpholin-2-yl)methyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[amino(morpholin-2-yl)methyl]-3H-1,3-benzoxazol-2-one (CID 116941050) is 5-[amino(morpholin-2-yl)methyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[amino(morpholin-2-yl)methyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[amino(morpholin-2-yl)methyl]-3H-1,3-benzoxazol-2-one is NC(c1ccc2oc(=O)[nH]c2c1)C1CNCCO1.
What is the InChIKey of 5-[amino(morpholin-2-yl)methyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is MHWIDTGZKCNVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-11(10-6-14-3-4-17-10)7-1-2-9-8(5-7)15-12(16)18-9/h1-2,5,10-11,14H,3-4,6,13H2,(H,15,16).
What are the key properties of 5-[amino(morpholin-2-yl)methyl]-3H-1,3-benzoxazol-2-one?
5-[amino(morpholin-2-yl)methyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 249.27 g/mol, XLogP of 0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(morpholin-2-yl)methyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 116941050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).