1-[2-(1-aminoethyl)morpholin-4-yl]-2-(1,2-benzoxazol-3-yl)ethanone

C15H19N3O3 — CID 81485666

IUPAC1-[2-(1-aminoethyl)morpholin-4-yl]-2-(1,2-benzoxazol-3-yl)ethanone
SMILESCC(N)C1CN(C(=O)Cc2noc3ccccc23)CCO1
InChIInChI=1S/C15H19N3O3/c1-10(16)14-9-18(6-7-20-14)15(19)8-12-11-4-2-3-5-13(11)21-17-12/h2-5,10,14H,6-9,16H2,1H3
InChIKeyYWLPDYNJXXUQKZ-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.94
Rot. Bonds3

About 1-[2-(1-aminoethyl)morpholin-4-yl]-2-(1,2-benzoxazol-3-yl)ethanone

1-[2-(1-aminoethyl)morpholin-4-yl]-2-(1,2-benzoxazol-3-yl)ethanone (PubChem CID 81485666) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)morpholin-4-yl]-2-(1,2-benzoxazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)morpholin-4-yl]-2-(1,2-benzoxazol-3-yl)ethanone
PubChem CID81485666
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-[2-(1-aminoethyl)morpholin-4-yl]-2-(1,2-benzoxazol-3-yl)ethanone
SMILESCC(N)C1CN(C(=O)Cc2noc3ccccc23)CCO1
InChIInChI=1S/C15H19N3O3/c1-10(16)14-9-18(6-7-20-14)15(19)8-12-11-4-2-3-5-13(11)21-17-12/h2-5,10,14H,6-9,16H2,1H3
InChIKeyYWLPDYNJXXUQKZ-UHFFFAOYSA-N
XLogP0.94
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone
CID 29202132
2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-(4-ethylphenyl)morpholin-4-yl]ethanone
CID 164630726
2-(1,2-benzoxazol-3-yl)-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone
CID 55982910
2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone
CID 95401407
1-[2-(1-aminoethyl)morpholin-4-yl]-2-(2-chlorophenyl)ethanone
CID 81485233
1-[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 99849466
2-(1,2-benzoxazol-3-yl)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79410823
2-(1,2-benzoxazol-3-yl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81427087
2-(1,2-benzoxazol-3-yl)-1-(3-bromopiperidin-1-yl)ethanone
CID 80659996
2-(1,2-benzoxazol-3-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107224813
2-(1,2-benzoxazol-3-yl)-1-(3-ethylsulfonylazetidin-1-yl)ethanone
CID 121164456
2-(1,2-benzoxazol-3-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534270

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)morpholin-4-yl]-2-(1,2-benzoxazol-3-yl)ethanone?
The IUPAC name of 1-[2-(1-aminoethyl)morpholin-4-yl]-2-(1,2-benzoxazol-3-yl)ethanone (CID 81485666) is 1-[2-(1-aminoethyl)morpholin-4-yl]-2-(1,2-benzoxazol-3-yl)ethanone.
What is the SMILES notation for 1-[2-(1-aminoethyl)morpholin-4-yl]-2-(1,2-benzoxazol-3-yl)ethanone?
The canonical SMILES for 1-[2-(1-aminoethyl)morpholin-4-yl]-2-(1,2-benzoxazol-3-yl)ethanone is CC(N)C1CN(C(=O)Cc2noc3ccccc23)CCO1.
What is the InChIKey of 1-[2-(1-aminoethyl)morpholin-4-yl]-2-(1,2-benzoxazol-3-yl)ethanone?
The InChIKey is YWLPDYNJXXUQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(16)14-9-18(6-7-20-14)15(19)8-12-11-4-2-3-5-13(11)21-17-12/h2-5,10,14H,6-9,16H2,1H3.
What are the key properties of 1-[2-(1-aminoethyl)morpholin-4-yl]-2-(1,2-benzoxazol-3-yl)ethanone?
1-[2-(1-aminoethyl)morpholin-4-yl]-2-(1,2-benzoxazol-3-yl)ethanone has a molecular weight of 289.33 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)morpholin-4-yl]-2-(1,2-benzoxazol-3-yl)ethanone is sourced from PubChem (CID 81485666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).