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

C18H21N3O2S — CID 129490474

IUPAC[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone
SMILESCc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)s1
InChIInChI=1S/C18H21N3O2S/c1-10-4-7-15(24-10)12-9-13(12)18(22)21-8-2-3-14(21)16-19-17(23-20-16)11-5-6-11/h4,7,11-14H,2-3,5-6,8-9H2,1H3/t12-,13-,14+/m1/s1
InChIKeyVIVNGBWROKKCOP-MCIONIFRSA-N
MW343.45 g/mol
LogP3.78
Rot. Bonds4

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

[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone (PubChem CID 129490474) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone
PubChem CID129490474
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone
SMILESCc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)s1
InChIInChI=1S/C18H21N3O2S/c1-10-4-7-15(24-10)12-9-13(12)18(22)21-8-2-3-14(21)16-19-17(23-20-16)11-5-6-11/h4,7,11-14H,2-3,5-6,8-9H2,1H3/t12-,13-,14+/m1/s1
InChIKeyVIVNGBWROKKCOP-MCIONIFRSA-N
XLogP3.78
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 97006918
[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 129461313
[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone
CID 129490413
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone
CID 97003510
[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone
CID 71928919
[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 71928015
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97008556
[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 167789568
(2S)-1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 97021448
[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 97010556
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 97013185
1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 166406186

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone?
The IUPAC name of [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone (CID 129490474) is [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone.
What is the SMILES notation for [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone?
The canonical SMILES for [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone is Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)s1.
What is the InChIKey of [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone?
The InChIKey is VIVNGBWROKKCOP-MCIONIFRSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-10-4-7-15(24-10)12-9-13(12)18(22)21-8-2-3-14(21)16-19-17(23-20-16)11-5-6-11/h4,7,11-14H,2-3,5-6,8-9H2,1H3/t12-,13-,14+/m1/s1.
What are the key properties of [(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone?
[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone has a molecular weight of 343.45 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone is sourced from PubChem (CID 129490474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).