1-[4-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carbonyl]thiophen-2-yl]ethanone

C16H19N3O5S — CID 97451805

IUPAC1-[4-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carbonyl]thiophen-2-yl]ethanone
SMILESCOCc1noc(C[C@@H]2CN(C(=O)c3csc(C(C)=O)c3)CCO2)n1
InChIInChI=1S/C16H19N3O5S/c1-10(20)13-5-11(9-25-13)16(21)19-3-4-23-12(7-19)6-15-17-14(8-22-2)18-24-15/h5,9,12H,3-4,6-8H2,1-2H3/t12-/m1/s1
InChIKeyFHYZBQSBNDYCMZ-GFCCVEGCSA-N
MW365.41 g/mol
LogP1.56
Rot. Bonds6

About 1-[4-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carbonyl]thiophen-2-yl]ethanone

1-[4-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carbonyl]thiophen-2-yl]ethanone (PubChem CID 97451805) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-[4-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carbonyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carbonyl]thiophen-2-yl]ethanone
PubChem CID97451805
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name1-[4-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carbonyl]thiophen-2-yl]ethanone
SMILESCOCc1noc(C[C@@H]2CN(C(=O)c3csc(C(C)=O)c3)CCO2)n1
InChIInChI=1S/C16H19N3O5S/c1-10(20)13-5-11(9-25-13)16(21)19-3-4-23-12(7-19)6-15-17-14(8-22-2)18-24-15/h5,9,12H,3-4,6-8H2,1-2H3/t12-/m1/s1
InChIKeyFHYZBQSBNDYCMZ-GFCCVEGCSA-N
XLogP1.56
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone
CID 97434480
[(2S)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 97148139
[5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone
CID 56875485
1-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 74241951
2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 56883063
(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine
CID 95708943
methyl 2-[4-(4-methoxythiophene-2-carbonyl)morpholin-2-yl]acetate
CID 79807133
[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone
CID 129401133
1H-indol-6-yl-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 91911357
(2S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 126447140
[3-(hydroxymethyl)-4-methylphenyl]-[(2R)-2-(methoxymethyl)morpholin-4-yl]methanone
CID 124737173
[2-(hydroxymethyl)morpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 81203428

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carbonyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[4-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carbonyl]thiophen-2-yl]ethanone (CID 97451805) is 1-[4-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carbonyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[4-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carbonyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[4-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carbonyl]thiophen-2-yl]ethanone is COCc1noc(C[C@@H]2CN(C(=O)c3csc(C(C)=O)c3)CCO2)n1.
What is the InChIKey of 1-[4-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carbonyl]thiophen-2-yl]ethanone?
The InChIKey is FHYZBQSBNDYCMZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-10(20)13-5-11(9-25-13)16(21)19-3-4-23-12(7-19)6-15-17-14(8-22-2)18-24-15/h5,9,12H,3-4,6-8H2,1-2H3/t12-/m1/s1.
What are the key properties of 1-[4-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carbonyl]thiophen-2-yl]ethanone?
1-[4-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carbonyl]thiophen-2-yl]ethanone has a molecular weight of 365.41 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carbonyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 97451805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).