3-[2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one

C17H18N4O4 — CID 124958382

IUPAC3-[2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESCc1cnc([C@@H]2COCCN2C(=O)Cn2c(=O)oc3ccccc32)[nH]1
InChIInChI=1S/C17H18N4O4/c1-11-8-18-16(19-11)13-10-24-7-6-20(13)15(22)9-21-12-4-2-3-5-14(12)25-17(21)23/h2-5,8,13H,6-7,9-10H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyGFWNLODTJBWFBJ-ZDUSSCGKSA-N
MW342.36 g/mol
LogP1.23
Rot. Bonds3

About 3-[2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one

3-[2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one (PubChem CID 124958382) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 3-[2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
PubChem CID124958382
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name3-[2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESCc1cnc([C@@H]2COCCN2C(=O)Cn2c(=O)oc3ccccc32)[nH]1
InChIInChI=1S/C17H18N4O4/c1-11-8-18-16(19-11)13-10-24-7-6-20(13)15(22)9-21-12-4-2-3-5-14(12)25-17(21)23/h2-5,8,13H,6-7,9-10H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyGFWNLODTJBWFBJ-ZDUSSCGKSA-N
XLogP1.23
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one with MolForge

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Related Compounds

1-[2-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
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[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone
CID 125016255
(E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one
CID 110105388
2-(3-fluorophenoxy)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 110105469
2-(2-chloro-6-fluorophenyl)-1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 124995719
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 110105409
1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 124983270
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 125017180
1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110105531
3-[2-oxo-2-[(2R)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 95862581
3-[2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 70723414
6-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one (CID 124958382) is 3-[2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one is Cc1cnc([C@@H]2COCCN2C(=O)Cn2c(=O)oc3ccccc32)[nH]1.
What is the InChIKey of 3-[2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The InChIKey is GFWNLODTJBWFBJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-11-8-18-16(19-11)13-10-24-7-6-20(13)15(22)9-21-12-4-2-3-5-14(12)25-17(21)23/h2-5,8,13H,6-7,9-10H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of 3-[2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
3-[2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one has a molecular weight of 342.36 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 124958382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).