3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one

C17H19N5O3S — CID 92562549

IUPAC3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one
SMILESCc1ccn(CCC(=O)N2CCO[C@@H](c3nc(-c4cccs4)no3)C2)n1
InChIInChI=1S/C17H19N5O3S/c1-12-4-6-22(19-12)7-5-15(23)21-8-9-24-13(11-21)17-18-16(20-25-17)14-3-2-10-26-14/h2-4,6,10,13H,5,7-9,11H2,1H3/t13-/m1/s1
InChIKeyUTWZBSGQPRHDDW-CYBMUJFWSA-N
MW373.44 g/mol
LogP2.29
Rot. Bonds5

About 3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one

3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one (PubChem CID 92562549) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one
PubChem CID92562549
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one
SMILESCc1ccn(CCC(=O)N2CCO[C@@H](c3nc(-c4cccs4)no3)C2)n1
InChIInChI=1S/C17H19N5O3S/c1-12-4-6-22(19-12)7-5-15(23)21-8-9-24-13(11-21)17-18-16(20-25-17)14-3-2-10-26-14/h2-4,6,10,13H,5,7-9,11H2,1H3/t13-/m1/s1
InChIKeyUTWZBSGQPRHDDW-CYBMUJFWSA-N
XLogP2.29
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3-methylpyrazol-1-yl)-1-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one
CID 92562548
1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 110115964
1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 124945971
3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one
CID 124946669
[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-[(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone
CID 92571565
1-[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 124940912
4,4,4-trifluoro-1-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 52952732
3-(3-methylpyrazol-1-yl)-1-[(2S)-2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]propan-1-one
CID 99948365
1-(3-methylpiperidin-1-yl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 18105333
2-(2-methylphenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 52952293
2-thiophen-2-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 1453694
1-[(2R)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 92577855

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one (CID 92562549) is 3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one is Cc1ccn(CCC(=O)N2CCO[C@@H](c3nc(-c4cccs4)no3)C2)n1.
What is the InChIKey of 3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one?
The InChIKey is UTWZBSGQPRHDDW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-12-4-6-22(19-12)7-5-15(23)21-8-9-24-13(11-21)17-18-16(20-25-17)14-3-2-10-26-14/h2-4,6,10,13H,5,7-9,11H2,1H3/t13-/m1/s1.
What are the key properties of 3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one?
3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one has a molecular weight of 373.44 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 92562549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).