[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone

C19H27N3O2 — CID 129490463

IUPAC[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)C1(C)C
InChIInChI=1S/C19H27N3O2/c1-11(2)10-13-15(19(13,3)4)18(23)22-9-5-6-14(22)16-20-17(24-21-16)12-7-8-12/h10,12-15H,5-9H2,1-4H3/t13-,14+,15+/m1/s1
InChIKeyRMFQKJKFWVHDHE-ILXRZTDVSA-N
MW329.44 g/mol
LogP3.85
Rot. Bonds4

About [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone

[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone (PubChem CID 129490463) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone
PubChem CID129490463
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)C1(C)C
InChIInChI=1S/C19H27N3O2/c1-11(2)10-13-15(19(13,3)4)18(23)22-9-5-6-14(22)16-20-17(24-21-16)12-7-8-12/h10,12-15H,5-9H2,1-4H3/t13-,14+,15+/m1/s1
InChIKeyRMFQKJKFWVHDHE-ILXRZTDVSA-N
XLogP3.85
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 166406186
N-[(2S)-1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 95779648
2-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 129461982
[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 129461313
[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 71928015
[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 167789568
1-cyclopropyl-4-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 71872964
[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 96996542
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97008556
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1S)-2,3-dihydro-1H-inden-1-yl]methanone
CID 97017050
1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 97001958
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone
CID 97003510

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone?
The IUPAC name of [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone (CID 129490463) is [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone.
What is the SMILES notation for [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone?
The canonical SMILES for [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone is CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)C1(C)C.
What is the InChIKey of [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone?
The InChIKey is RMFQKJKFWVHDHE-ILXRZTDVSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-11(2)10-13-15(19(13,3)4)18(23)22-9-5-6-14(22)16-20-17(24-21-16)12-7-8-12/h10,12-15H,5-9H2,1-4H3/t13-,14+,15+/m1/s1.
What are the key properties of [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone?
[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone has a molecular weight of 329.44 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone is sourced from PubChem (CID 129490463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).