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

C14H19N5O3S — CID 129326220

IUPAC(4-ethylthiadiazol-5-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCOC[C@H]1c1nnc(C(C)C)o1
InChIInChI=1S/C14H19N5O3S/c1-4-9-11(23-18-15-9)14(20)19-5-6-21-7-10(19)13-17-16-12(22-13)8(2)3/h8,10H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyHSQGQMLMPUXART-JTQLQIEISA-N
MW337.41 g/mol
LogP1.82
Rot. Bonds4

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

(4-ethylthiadiazol-5-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (PubChem CID 129326220) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
PubChem CID129326220
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name(4-ethylthiadiazol-5-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCOC[C@H]1c1nnc(C(C)C)o1
InChIInChI=1S/C14H19N5O3S/c1-4-9-11(23-18-15-9)14(20)19-5-6-21-7-10(19)13-17-16-12(22-13)8(2)3/h8,10H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyHSQGQMLMPUXART-JTQLQIEISA-N
XLogP1.82
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
[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
(4-ethylthiadiazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124943736
(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
(5-hydroxy-3-pyridinyl)-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128991419
(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-[(3R)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 129473759
1-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 129473760
2-cyclohexyloxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129004659
(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
[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129473158
1H-indol-7-yl-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129472366

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (CID 129326220) is (4-ethylthiadiazol-5-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is CCc1nnsc1C(=O)N1CCOC[C@H]1c1nnc(C(C)C)o1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is HSQGQMLMPUXART-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-4-9-11(23-18-15-9)14(20)19-5-6-21-7-10(19)13-17-16-12(22-13)8(2)3/h8,10H,4-7H2,1-3H3/t10-/m0/s1.
What are the key properties of (4-ethylthiadiazol-5-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
(4-ethylthiadiazol-5-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 337.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 129326220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).