[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-[(1R,2S)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone

C16H19N3O3S — CID 129326445

IUPAC[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-[(1R,2S)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone
SMILESCc1nnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3sccc3C)CCO2)o1
InChIInChI=1S/C16H19N3O3S/c1-9-3-6-23-14(9)11-7-12(11)16(20)19-4-5-21-13(8-19)15-18-17-10(2)22-15/h3,6,11-13H,4-5,7-8H2,1-2H3/t11-,12+,13-/m0/s1
InChIKeyKANWIAAWVITINI-XQQFMLRXSA-N
MW333.41 g/mol
LogP2.45
Rot. Bonds3

About [(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-[(1R,2S)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone

[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-[(1R,2S)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone (PubChem CID 129326445) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is [(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-[(1R,2S)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-[(1R,2S)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone
PubChem CID129326445
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-[(1R,2S)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone
SMILESCc1nnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3sccc3C)CCO2)o1
InChIInChI=1S/C16H19N3O3S/c1-9-3-6-23-14(9)11-7-12(11)16(20)19-4-5-21-13(8-19)15-18-17-10(2)22-15/h3,6,11-13H,4-5,7-8H2,1-2H3/t11-,12+,13-/m0/s1
InChIKeyKANWIAAWVITINI-XQQFMLRXSA-N
XLogP2.45
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-[(1R,2S)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-4-[(1S,2R)-2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 124698180
(4,5-dimethylthiophen-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326186
1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-4-thiophen-2-ylbutan-1-one
CID 129327921
(3S)-3-hydroxy-1-[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide
CID 100623581
(2S)-2-(5-chlorothiophen-2-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129327130
1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2,4,5-trifluorophenyl)ethanone
CID 129327013
(3,7-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129327895
[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 129326893
(2R)-2-cyclopropyl-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-phenylethanone
CID 129327530
(3-methyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129325788
[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129328047
(E)-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-5-phenylpent-4-en-1-one
CID 129001830

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-[(1R,2S)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone?
The IUPAC name of [(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-[(1R,2S)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone (CID 129326445) is [(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-[(1R,2S)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone.
What is the SMILES notation for [(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-[(1R,2S)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone?
The canonical SMILES for [(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-[(1R,2S)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone is Cc1nnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3sccc3C)CCO2)o1.
What is the InChIKey of [(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-[(1R,2S)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone?
The InChIKey is KANWIAAWVITINI-XQQFMLRXSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-9-3-6-23-14(9)11-7-12(11)16(20)19-4-5-21-13(8-19)15-18-17-10(2)22-15/h3,6,11-13H,4-5,7-8H2,1-2H3/t11-,12+,13-/m0/s1.
What are the key properties of [(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-[(1R,2S)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone?
[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-[(1R,2S)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone has a molecular weight of 333.41 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-[(1R,2S)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone is sourced from PubChem (CID 129326445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).