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

C17H23N3O3S — CID 129326690

IUPAC(4-ethyl-5-methylthiophen-2-yl)-[(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCCc1cc(C(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)sc1C
InChIInChI=1S/C17H23N3O3S/c1-5-12-8-14(24-11(12)4)17(21)20-6-7-22-13(9-20)16-19-18-15(23-16)10(2)3/h8,10,13H,5-7,9H2,1-4H3/t13-/m0/s1
InChIKeyMJZYHJMXJBYEIA-ZDUSSCGKSA-N
MW349.46 g/mol
LogP3.34
Rot. Bonds4

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

(4-ethyl-5-methylthiophen-2-yl)-[(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (PubChem CID 129326690) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is (4-ethyl-5-methylthiophen-2-yl)-[(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethyl-5-methylthiophen-2-yl)-[(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
PubChem CID129326690
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name(4-ethyl-5-methylthiophen-2-yl)-[(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCCc1cc(C(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)sc1C
InChIInChI=1S/C17H23N3O3S/c1-5-12-8-14(24-11(12)4)17(21)20-6-7-22-13(9-20)16-19-18-15(23-16)10(2)3/h8,10,13H,5-7,9H2,1-4H3/t13-/m0/s1
InChIKeyMJZYHJMXJBYEIA-ZDUSSCGKSA-N
XLogP3.34
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-ethyl-3-methylfuran-2-yl)-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326599
(5-ethyl-1H-pyrazol-3-yl)-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128998494
(4,5-dimethylthiophen-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326186
indolizin-2-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128971284
(5-tert-butyl-1,2-oxazol-3-yl)-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128992090
(2S)-N-(2-ethylpyrimidin-5-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
CID 129477494
(2R)-N-(4-methylthiophen-3-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
CID 129477357
N-(4-methylthiophen-3-yl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
CID 128992225
isoquinolin-1-yl-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129473192
(2R)-2-(cyclopropylmethoxy)-1-[(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129327146
3-methyl-1-[2-oxo-2-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethyl]pyridin-2-one
CID 129327007
2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]thiophene-3-carbonitrile
CID 129004700

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-5-methylthiophen-2-yl)-[(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (4-ethyl-5-methylthiophen-2-yl)-[(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (CID 129326690) is (4-ethyl-5-methylthiophen-2-yl)-[(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-ethyl-5-methylthiophen-2-yl)-[(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4-ethyl-5-methylthiophen-2-yl)-[(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is CCc1cc(C(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)sc1C.
What is the InChIKey of (4-ethyl-5-methylthiophen-2-yl)-[(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is MJZYHJMXJBYEIA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-5-12-8-14(24-11(12)4)17(21)20-6-7-22-13(9-20)16-19-18-15(23-16)10(2)3/h8,10,13H,5-7,9H2,1-4H3/t13-/m0/s1.
What are the key properties of (4-ethyl-5-methylthiophen-2-yl)-[(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
(4-ethyl-5-methylthiophen-2-yl)-[(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 349.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-5-methylthiophen-2-yl)-[(2S)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 129326690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).