1-[(2R)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-thiophen-3-ylethanone

C16H15N5O3S — CID 92577855

IUPAC1-[(2R)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCO[C@@H](c2nc(-c3ncccn3)no2)C1
InChIInChI=1S/C16H15N5O3S/c22-13(8-11-2-7-25-10-11)21-5-6-23-12(9-21)16-19-15(20-24-16)14-17-3-1-4-18-14/h1-4,7,10,12H,5-6,8-9H2/t12-/m1/s1
InChIKeyIMZSLOYNWPBQQN-GFCCVEGCSA-N
MW357.40 g/mol
LogP1.73
Rot. Bonds4

About 1-[(2R)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-thiophen-3-ylethanone

1-[(2R)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-thiophen-3-ylethanone (PubChem CID 92577855) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is 1-[(2R)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[(2R)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-thiophen-3-ylethanone
PubChem CID92577855
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC Name1-[(2R)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCO[C@@H](c2nc(-c3ncccn3)no2)C1
InChIInChI=1S/C16H15N5O3S/c22-13(8-11-2-7-25-10-11)21-5-6-23-12(9-21)16-19-15(20-24-16)14-17-3-1-4-18-14/h1-4,7,10,12H,5-6,8-9H2/t12-/m1/s1
InChIKeyIMZSLOYNWPBQQN-GFCCVEGCSA-N
XLogP1.73
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone
CID 110102530
1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 124941277
2-(4-fluorophenyl)-1-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 142778838
1-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 91908063
1-[2-(2-aminoethyl)morpholin-4-yl]-2-thiophen-3-ylethanone;hydrochloride
CID 154908174
1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 125003001
2-(4-methoxynaphthalen-1-yl)-1-[(2R)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone
CID 92595077
N-[[2-[4-(2-thiophen-3-ylacetyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 110117117
1-[(2R,3aS,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-thiophen-3-ylethanone
CID 97367354
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone
CID 46956752
1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 110114059
1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 3800706

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[(2R)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-thiophen-3-ylethanone (CID 92577855) is 1-[(2R)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[(2R)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[(2R)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCO[C@@H](c2nc(-c3ncccn3)no2)C1.
What is the InChIKey of 1-[(2R)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-thiophen-3-ylethanone?
The InChIKey is IMZSLOYNWPBQQN-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15N5O3S/c22-13(8-11-2-7-25-10-11)21-5-6-23-12(9-21)16-19-15(20-24-16)14-17-3-1-4-18-14/h1-4,7,10,12H,5-6,8-9H2/t12-/m1/s1.
What are the key properties of 1-[(2R)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-thiophen-3-ylethanone?
1-[(2R)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-thiophen-3-ylethanone has a molecular weight of 357.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 92577855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).