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

C15H21N3O3 — CID 81497395

IUPAC3-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-1,3-benzoxazol-2-one
SMILESCC(N)C1CN(CCn2c(=O)oc3ccccc32)CCO1
InChIInChI=1S/C15H21N3O3/c1-11(16)14-10-17(8-9-20-14)6-7-18-12-4-2-3-5-13(12)21-15(18)19/h2-5,11,14H,6-10,16H2,1H3
InChIKeyDIVZPLAROKZCDJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.64
Rot. Bonds4

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

3-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-1,3-benzoxazol-2-one (PubChem CID 81497395) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-1,3-benzoxazol-2-one
PubChem CID81497395
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-1,3-benzoxazol-2-one
SMILESCC(N)C1CN(CCn2c(=O)oc3ccccc32)CCO1
InChIInChI=1S/C15H21N3O3/c1-11(16)14-10-17(8-9-20-14)6-7-18-12-4-2-3-5-13(12)21-15(18)19/h2-5,11,14H,6-10,16H2,1H3
InChIKeyDIVZPLAROKZCDJ-UHFFFAOYSA-N
XLogP0.64
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[3-(1-aminoethyl)pyrrolidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 115969276
3-[2-(3-methylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 65448101
3-[2-[(3aR,5R,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]ethyl]-1,3-benzoxazol-2-one
CID 77091507
3-[2-[(2R)-2-pyridin-3-ylmorpholin-4-yl]ethyl]-1,3-benzoxazol-2-one
CID 99928981
2-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 81497209
3-[2-[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]ethyl]-1,3-benzoxazol-2-one
CID 135117660
3-[5-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperazin-1-yl]pentyl]-1,3-benzoxazol-2-one
CID 58511876
(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
CID 95396414
1-[4-[(1,3-dimethylindol-2-yl)methyl]morpholin-2-yl]ethanamine
CID 107236440
3-[2-(1-aminoethyl)morpholin-4-yl]-N-phenylpropanamide
CID 81490513
3-[2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 56705602
3-[2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 94032087

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-1,3-benzoxazol-2-one (CID 81497395) is 3-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-1,3-benzoxazol-2-one is CC(N)C1CN(CCn2c(=O)oc3ccccc32)CCO1.
What is the InChIKey of 3-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-1,3-benzoxazol-2-one?
The InChIKey is DIVZPLAROKZCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11(16)14-10-17(8-9-20-14)6-7-18-12-4-2-3-5-13(12)21-15(18)19/h2-5,11,14H,6-10,16H2,1H3.
What are the key properties of 3-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-1,3-benzoxazol-2-one?
3-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-1,3-benzoxazol-2-one has a molecular weight of 291.35 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 81497395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).