[(2S)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

C19H23N3O3 — CID 95779415

IUPAC[(2S)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCCc1nc([C@H]2CCCN2C(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)no1
InChIInChI=1S/C19H23N3O3/c1-4-17-20-18(21-25-17)14-6-5-7-22(14)19(23)16-10-13-8-11(2)12(3)9-15(13)24-16/h8-9,14,16H,4-7,10H2,1-3H3/t14-,16+/m1/s1
InChIKeyVBPBWNBXMFRWQG-ZBFHGGJFSA-N
MW341.41 g/mol
LogP2.92
Rot. Bonds3

About [(2S)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

[(2S)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 95779415) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [(2S)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID95779415
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[(2S)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCCc1nc([C@H]2CCCN2C(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)no1
InChIInChI=1S/C19H23N3O3/c1-4-17-20-18(21-25-17)14-6-5-7-22(14)19(23)16-10-13-8-11(2)12(3)9-15(13)24-16/h8-9,14,16H,4-7,10H2,1-3H3/t14-,16+/m1/s1
InChIKeyVBPBWNBXMFRWQG-ZBFHGGJFSA-N
XLogP2.92
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698351
(2R)-1-[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 124699315
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 95779278
(5S)-5-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 96511071
[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 96561469
[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 95779273
[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 95779324
(7-chloro-1,3-benzodioxol-5-yl)-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 95779437
(4S)-4-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 95779786
(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95779318
[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(3-methylimidazo[1,5-a]pyridin-1-yl)methanone
CID 95779824
[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 95779814

Frequently Asked Questions

What is the IUPAC name of [(2S)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(2S)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (CID 95779415) is [(2S)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(2S)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(2S)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is CCc1nc([C@H]2CCCN2C(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)no1.
What is the InChIKey of [(2S)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is VBPBWNBXMFRWQG-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-17-20-18(21-25-17)14-6-5-7-22(14)19(23)16-10-13-8-11(2)12(3)9-15(13)24-16/h8-9,14,16H,4-7,10H2,1-3H3/t14-,16+/m1/s1.
What are the key properties of [(2S)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
[(2S)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 341.41 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95779415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).