[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone

C16H22N4O3S — CID 128998991

IUPAC[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC(C)c1nnc(C2COCCN2C(=O)c2csc(C(C)C)n2)o1
InChIInChI=1S/C16H22N4O3S/c1-9(2)13-18-19-14(23-13)12-7-22-6-5-20(12)16(21)11-8-24-15(17-11)10(3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyNECKJHMZFVFPFR-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.99
Rot. Bonds4

About [3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone

[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 128998991) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is [3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID128998991
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC(C)c1nnc(C2COCCN2C(=O)c2csc(C(C)C)n2)o1
InChIInChI=1S/C16H22N4O3S/c1-9(2)13-18-19-14(23-13)12-7-22-6-5-20(12)16(21)11-8-24-15(17-11)10(3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyNECKJHMZFVFPFR-UHFFFAOYSA-N
XLogP2.99
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone with MolForge

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Related Compounds

(5-hydroxy-3-pyridinyl)-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128991419
(5-methylimidazo[1,2-a]pyridin-2-yl)-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128965632
(7-methylimidazo[1,2-a]pyridin-2-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129327442
3,4-dihydro-2H-pyran-5-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129472106
(4-ethylthiadiazol-5-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326220
(6-methyl-3,4-dihydro-2H-pyran-5-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129473120
[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129473158
1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 129326628
1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 128996947
1H-indol-7-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129472366
(2R)-1-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one
CID 129327281
1-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 129473760

Frequently Asked Questions

What is the IUPAC name of [3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone (CID 128998991) is [3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone is CC(C)c1nnc(C2COCCN2C(=O)c2csc(C(C)C)n2)o1.
What is the InChIKey of [3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is NECKJHMZFVFPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-9(2)13-18-19-14(23-13)12-7-22-6-5-20(12)16(21)11-8-24-15(17-11)10(3)4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of [3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 350.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 128998991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).