[(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

C17H25N3O3 — CID 129328047

IUPAC[(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
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)N2CCO[C@H](c3nnc(C)o3)C2)C1(C)C
InChIInChI=1S/C17H25N3O3/c1-10(2)8-12-14(17(12,4)5)16(21)20-6-7-22-13(9-20)15-19-18-11(3)23-15/h8,12-14H,6-7,9H2,1-5H3/t12-,13+,14+/m1/s1
InChIKeyXZEWLKNDRZQECC-RDBSUJKOSA-N
MW319.41 g/mol
LogP2.52
Rot. Bonds3

About [(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

[(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 (PubChem CID 129328047) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID129328047
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name[(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
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)N2CCO[C@H](c3nnc(C)o3)C2)C1(C)C
InChIInChI=1S/C17H25N3O3/c1-10(2)8-12-14(17(12,4)5)16(21)20-6-7-22-13(9-20)15-19-18-11(3)23-15/h8,12-14H,6-7,9H2,1-5H3/t12-,13+,14+/m1/s1
InChIKeyXZEWLKNDRZQECC-RDBSUJKOSA-N
XLogP2.52
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]morpholine-2-carboxamide
CID 94371199
[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 129326893
(3,7-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129327895
[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-[(1R,2S)-2-(3-methylthiophen-2-yl)cyclopropyl]methanone
CID 129326445
(3-methyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129325788
(2S)-2-(dimethylamino)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one
CID 129326546
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129326457
[(3S)-1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 94609029
[(3R)-1-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 100838496
(4,5-dimethylthiophen-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326186
2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129326613
1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2,4,5-trifluorophenyl)ethanone
CID 129327013

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CC(C)=C[C@@H]1[C@@H](C(=O)N2CCO[C@H](c3nnc(C)o3)C2)C1(C)C.
What is the InChIKey of [(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?
The InChIKey is XZEWLKNDRZQECC-RDBSUJKOSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-10(2)8-12-14(17(12,4)5)16(21)20-6-7-22-13(9-20)15-19-18-11(3)23-15/h8,12-14H,6-7,9H2,1-5H3/t12-,13+,14+/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 319.41 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 129328047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).