1-[2-(3-methoxyphenyl)ethylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide

C18H23N3O5S — CID 110624660

IUPAC1-[2-(3-methoxyphenyl)ethylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
SMILESCOc1cccc(CCS(=O)(=O)N2CCCC2C(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C18H23N3O5S/c1-13-11-17(20-26-13)19-18(22)16-7-4-9-21(16)27(23,24)10-8-14-5-3-6-15(12-14)25-2/h3,5-6,11-12,16H,4,7-10H2,1-2H3,(H,19,20,22)
InChIKeyGRVIXMDHPOQJQA-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.97
Rot. Bonds7

About 1-[2-(3-methoxyphenyl)ethylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide

1-[2-(3-methoxyphenyl)ethylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide (PubChem CID 110624660) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)ethylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)ethylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
PubChem CID110624660
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name1-[2-(3-methoxyphenyl)ethylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
SMILESCOc1cccc(CCS(=O)(=O)N2CCCC2C(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C18H23N3O5S/c1-13-11-17(20-26-13)19-18(22)16-7-4-9-21(16)27(23,24)10-8-14-5-3-6-15(12-14)25-2/h3,5-6,11-12,16H,4,7-10H2,1-2H3,(H,19,20,22)
InChIKeyGRVIXMDHPOQJQA-UHFFFAOYSA-N
XLogP1.97
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-hydroxy-1-[2-(4-methoxyphenyl)ethylsulfonyl]pyrrolidine-2-carboxamide
CID 71816508
N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240451
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(5-phenylpentanoyl)pyrrolidine-2-carboxamide
CID 110304954
(2R)-1-(3,5-dimethoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 124655888
1-(4-tert-butylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170990
(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 40797674
methyl 1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxylate
CID 43624427
(2S)-1-[3-(4-methoxyphenyl)butanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110304942
1-(2-methoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170933
3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51471448
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109055500
(2R)-N-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40894588

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)ethylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(3-methoxyphenyl)ethylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide (CID 110624660) is 1-[2-(3-methoxyphenyl)ethylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)ethylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(3-methoxyphenyl)ethylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide is COc1cccc(CCS(=O)(=O)N2CCCC2C(=O)Nc2cc(C)on2)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)ethylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is GRVIXMDHPOQJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-13-11-17(20-26-13)19-18(22)16-7-4-9-21(16)27(23,24)10-8-14-5-3-6-15(12-14)25-2/h3,5-6,11-12,16H,4,7-10H2,1-2H3,(H,19,20,22).
What are the key properties of 1-[2-(3-methoxyphenyl)ethylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
1-[2-(3-methoxyphenyl)ethylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)ethylsulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110624660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).