5-ethyl-3-methyl-4-[(2S)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-2-yl]-1,2-oxazole

C20H26N2O3S — CID 92877952

IUPAC5-ethyl-3-methyl-4-[(2S)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-2-yl]-1,2-oxazole
SMILESCCc1onc(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H26N2O3S/c1-3-19-20(14(2)21-25-19)18-9-6-12-22(18)26(23,24)17-11-10-15-7-4-5-8-16(15)13-17/h10-11,13,18H,3-9,12H2,1-2H3/t18-/m0/s1
InChIKeyJSHKFQNEUIDWDC-SFHVURJKSA-N
MW374.51 g/mol
LogP3.95
Rot. Bonds4

About 5-ethyl-3-methyl-4-[(2S)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-2-yl]-1,2-oxazole

5-ethyl-3-methyl-4-[(2S)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 92877952) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 5-ethyl-3-methyl-4-[(2S)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-ethyl-3-methyl-4-[(2S)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-2-yl]-1,2-oxazole
PubChem CID92877952
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name5-ethyl-3-methyl-4-[(2S)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-2-yl]-1,2-oxazole
SMILESCCc1onc(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H26N2O3S/c1-3-19-20(14(2)21-25-19)18-9-6-12-22(18)26(23,24)17-11-10-15-7-4-5-8-16(15)13-17/h10-11,13,18H,3-9,12H2,1-2H3/t18-/m0/s1
InChIKeyJSHKFQNEUIDWDC-SFHVURJKSA-N
XLogP3.95
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-3-methyl-4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-2-yl]-1,2-oxazole
CID 46366422
5-ethyl-3-methyl-4-[(2S)-1-(2-nitrophenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92877930
4-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
CID 46366420
(2S)-2-(5-methylthiophen-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azepane
CID 92502904
(2S)-2-(2-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 51856369
4-[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 47001516
2-(methoxymethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 110869990
(2R)-2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 51855630
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine
CID 134017312
3-(3-chlorophenyl)-5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 53206284
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol
CID 43574439
3-[(2S)-1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92894039

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-4-[(2S)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 5-ethyl-3-methyl-4-[(2S)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-2-yl]-1,2-oxazole (CID 92877952) is 5-ethyl-3-methyl-4-[(2S)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-ethyl-3-methyl-4-[(2S)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 5-ethyl-3-methyl-4-[(2S)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-2-yl]-1,2-oxazole is CCc1onc(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 5-ethyl-3-methyl-4-[(2S)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is JSHKFQNEUIDWDC-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-3-19-20(14(2)21-25-19)18-9-6-12-22(18)26(23,24)17-11-10-15-7-4-5-8-16(15)13-17/h10-11,13,18H,3-9,12H2,1-2H3/t18-/m0/s1.
What are the key properties of 5-ethyl-3-methyl-4-[(2S)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-2-yl]-1,2-oxazole?
5-ethyl-3-methyl-4-[(2S)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 374.51 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-4-[(2S)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 92877952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).