(5R)-5-(hydroxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;methane;(5R)-5-(methoxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;3-nitrobenzenesulfonyl chloride

C38H46ClN5O12S — CID 159032394

IUPAC(5R)-5-(hydroxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;methane;(5R)-5-(methoxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;3-nitrobenzenesulfonyl chloride
SMILESC.CCC(=O)N1CCc2cc(N3C[C@H](CO)OC3=O)ccc21.CCC(=O)N1CCc2cc(N3C[C@H](COC)OC3=O)ccc21.O=[N+]([O-])c1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C16H20N2O4.C15H18N2O4.C6H4ClNO4S.CH4/c1-3-15(19)17-7-6-11-8-12(4-5-14(11)17)18-9-13(10-21-2)22-16(18)20;1-2-14(19)16-6-5-10-7-11(3-4-13(10)16)17-8-12(9-18)21-15(17)20;7-13(11,12)6-3-1-2-5(4-6)8(9)10;/h4-5,8,13H,3,6-7,9-10H2,1-2H3;3-4,7,12,18H,2,5-6,8-9H2,1H3;1-4H;1H4/t13-;12-;;/m11../s1
InChIKeyJVARTYRALVRASH-YENXOINWSA-N
MW832.33 g/mol
LogP5.42
Rot. Bonds9

About (5R)-5-(hydroxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;methane;(5R)-5-(methoxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;3-nitrobenzenesulfonyl chloride

(5R)-5-(hydroxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;methane;(5R)-5-(methoxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;3-nitrobenzenesulfonyl chloride (PubChem CID 159032394) has the molecular formula C38H46ClN5O12S and a molecular weight of 832.33 g/mol. Its IUPAC name is (5R)-5-(hydroxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;methane;(5R)-5-(methoxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;3-nitrobenzenesulfonyl chloride.

Molecular Properties

Compound Name(5R)-5-(hydroxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;methane;(5R)-5-(methoxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;3-nitrobenzenesulfonyl chloride
PubChem CID159032394
Molecular FormulaC38H46ClN5O12S
Molecular Weight832.33 g/mol
Exact Mass831.26
IUPAC Name(5R)-5-(hydroxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;methane;(5R)-5-(methoxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;3-nitrobenzenesulfonyl chloride
SMILESC.CCC(=O)N1CCc2cc(N3C[C@H](CO)OC3=O)ccc21.CCC(=O)N1CCc2cc(N3C[C@H](COC)OC3=O)ccc21.O=[N+]([O-])c1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C16H20N2O4.C15H18N2O4.C6H4ClNO4S.CH4/c1-3-15(19)17-7-6-11-8-12(4-5-14(11)17)18-9-13(10-21-2)22-16(18)20;1-2-14(19)16-6-5-10-7-11(3-4-13(10)16)17-8-12(9-18)21-15(17)20;7-13(11,12)6-3-1-2-5(4-6)8(9)10;/h4-5,8,13H,3,6-7,9-10H2,1-2H3;3-4,7,12,18H,2,5-6,8-9H2,1H3;1-4H;1H4/t13-;12-;;/m11../s1
InChIKeyJVARTYRALVRASH-YENXOINWSA-N
XLogP5.42
TPSA206.44 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500832.33
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5R)-5-(hydroxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;methane;(5R)-5-(methoxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;3-nitrobenzenesulfonyl chloride with MolForge

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Related Compounds

(5S)-5-(aminomethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one
CID 59953065
3-(1-acetyl-2,3-dihydroindol-5-yl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 22982594
(5R)-5-(hydroxymethyl)-3-(4-nitrophenyl)-1,3-oxazolidin-2-one
CID 58777713
(5R)-5-[(3-nitrophenyl)sulfonyloxymethyl]-2-oxo-1,3-oxazolidine-3-carboxylic acid
CID 155338217
N-methyl-N-[1-(3-nitrophenyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55789656
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-nitrobenzenesulfonamide
CID 110370809
(5R)-3-[3-fluoro-4-[(1S,5R)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 20788884
(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10411371
1-(5-nitro-2,3-dihydroindol-1-yl)butan-1-one
CID 3584767
N,N-dimethyl-1-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-2,3-dihydroindole-5-sulfonamide
CID 26769636
5-(hydroxymethyl)-3-(4-phenylphenyl)-1,3-oxazolidin-2-one;4-methylbenzenesulfonic acid
CID 19788088
(5S)-5-ethyl-3-[3-fluoro-4-(3-nitrophenyl)phenyl]-1,3-oxazolidin-2-one
CID 157350921

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(hydroxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;methane;(5R)-5-(methoxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;3-nitrobenzenesulfonyl chloride?
The IUPAC name of (5R)-5-(hydroxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;methane;(5R)-5-(methoxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;3-nitrobenzenesulfonyl chloride (CID 159032394) is (5R)-5-(hydroxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;methane;(5R)-5-(methoxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;3-nitrobenzenesulfonyl chloride.
What is the SMILES notation for (5R)-5-(hydroxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;methane;(5R)-5-(methoxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;3-nitrobenzenesulfonyl chloride?
The canonical SMILES for (5R)-5-(hydroxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;methane;(5R)-5-(methoxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;3-nitrobenzenesulfonyl chloride is C.CCC(=O)N1CCc2cc(N3C[C@H](CO)OC3=O)ccc21.CCC(=O)N1CCc2cc(N3C[C@H](COC)OC3=O)ccc21.O=[N+]([O-])c1cccc(S(=O)(=O)Cl)c1.
What is the InChIKey of (5R)-5-(hydroxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;methane;(5R)-5-(methoxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;3-nitrobenzenesulfonyl chloride?
The InChIKey is JVARTYRALVRASH-YENXOINWSA-N. The full InChI is InChI=1S/C16H20N2O4.C15H18N2O4.C6H4ClNO4S.CH4/c1-3-15(19)17-7-6-11-8-12(4-5-14(11)17)18-9-13(10-21-2)22-16(18)20;1-2-14(19)16-6-5-10-7-11(3-4-13(10)16)17-8-12(9-18)21-15(17)20;7-13(11,12)6-3-1-2-5(4-6)8(9)10;/h4-5,8,13H,3,6-7,9-10H2,1-2H3;3-4,7,12,18H,2,5-6,8-9H2,1H3;1-4H;1H4/t13-;12-;;/m11../s1.
What are the key properties of (5R)-5-(hydroxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;methane;(5R)-5-(methoxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;3-nitrobenzenesulfonyl chloride?
(5R)-5-(hydroxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;methane;(5R)-5-(methoxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;3-nitrobenzenesulfonyl chloride has a molecular weight of 832.33 g/mol, XLogP of 5.42, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(hydroxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;methane;(5R)-5-(methoxymethyl)-3-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-oxazolidin-2-one;3-nitrobenzenesulfonyl chloride is sourced from PubChem (CID 159032394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).