3-[2-[(1S,5R)-9-[(5-ethylthiophen-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C19H27N3O4S — CID 137337244

IUPAC3-[2-[(1S,5R)-9-[(5-ethylthiophen-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCCc1ccc(CN2C[C@H]3COC[C@@H]2CN(C(=O)CN2CCOC2=O)C3)s1
InChIInChI=1S/C19H27N3O4S/c1-2-16-3-4-17(27-16)10-21-7-14-8-22(9-15(21)13-25-12-14)18(23)11-20-5-6-26-19(20)24/h3-4,14-15H,2,5-13H2,1H3/t14-,15+/m1/s1
InChIKeyWQSRNZPAMJIXBS-CABCVRRESA-N
MW393.51 g/mol
LogP1.42
Rot. Bonds5

About 3-[2-[(1S,5R)-9-[(5-ethylthiophen-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[(1S,5R)-9-[(5-ethylthiophen-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 137337244) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 3-[2-[(1S,5R)-9-[(5-ethylthiophen-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(1S,5R)-9-[(5-ethylthiophen-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID137337244
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name3-[2-[(1S,5R)-9-[(5-ethylthiophen-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCCc1ccc(CN2C[C@H]3COC[C@@H]2CN(C(=O)CN2CCOC2=O)C3)s1
InChIInChI=1S/C19H27N3O4S/c1-2-16-3-4-17(27-16)10-21-7-14-8-22(9-15(21)13-25-12-14)18(23)11-20-5-6-26-19(20)24/h3-4,14-15H,2,5-13H2,1H3/t14-,15+/m1/s1
InChIKeyWQSRNZPAMJIXBS-CABCVRRESA-N
XLogP1.42
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[(1S,5R)-9-[(5-ethylthiophen-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[2-[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 133111541
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]ethanone
CID 135113258
3-[2-oxo-2-[(7R)-7-phenyl-1,4-thiazepan-4-yl]ethyl]-1,3-oxazolidin-2-one
CID 99884162
3-[2-[(3S,4R)-3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 72900722
3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one
CID 62023165
3-[2-oxo-2-[(1R,5S)-7-oxo-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethyl]-1,3-oxazolidin-2-one
CID 133118365
(1S,5R)-7-(5-ethyl-1,2,4-oxadiazol-3-yl)-9-[(5-methylthiophen-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decane
CID 137335106
2-(4-aminophenyl)-1-[(1S,5R)-9-[(4-chlorophenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]ethanone;dihydrochloride
CID 154918358
3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 135094089
1-[(5-ethylthiophen-2-yl)methyl]pyrrolidine-2,4-dione
CID 106007747
3-[2-[(3S)-4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 95554091
1-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-morpholin-4-ylethanone
CID 72897982

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1S,5R)-9-[(5-ethylthiophen-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(1S,5R)-9-[(5-ethylthiophen-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 137337244) is 3-[2-[(1S,5R)-9-[(5-ethylthiophen-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(1S,5R)-9-[(5-ethylthiophen-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(1S,5R)-9-[(5-ethylthiophen-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is CCc1ccc(CN2C[C@H]3COC[C@@H]2CN(C(=O)CN2CCOC2=O)C3)s1.
What is the InChIKey of 3-[2-[(1S,5R)-9-[(5-ethylthiophen-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is WQSRNZPAMJIXBS-CABCVRRESA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-2-16-3-4-17(27-16)10-21-7-14-8-22(9-15(21)13-25-12-14)18(23)11-20-5-6-26-19(20)24/h3-4,14-15H,2,5-13H2,1H3/t14-,15+/m1/s1.
What are the key properties of 3-[2-[(1S,5R)-9-[(5-ethylthiophen-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[(1S,5R)-9-[(5-ethylthiophen-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 393.51 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1S,5R)-9-[(5-ethylthiophen-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 137337244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).