(3S,3'R,4'R,5'S)-4'-(2-fluoropropan-2-yl)-5'-(2-hydroxyethyl)-3'-methyl-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one

C27H31FN2O5 — CID 23902421

IUPAC(3S,3'R,4'R,5'S)-4'-(2-fluoropropan-2-yl)-5'-(2-hydroxyethyl)-3'-methyl-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one
SMILESC[C@@H]1[C@@H](C(C)(C)F)[C@H](CCO)O[C@@]12C(=O)N(Cc1ccc(N3CCOC3=O)cc1)c1ccccc12
InChIInChI=1S/C27H31FN2O5/c1-17-23(26(2,3)28)22(12-14-31)35-27(17)20-6-4-5-7-21(20)30(24(27)32)16-18-8-10-19(11-9-18)29-13-15-34-25(29)33/h4-11,17,22-23,31H,12-16H2,1-3H3/t17-,22+,23-,27+/m1/s1
InChIKeyCNWAZDRFJOBWLS-ATCQHAHASA-N
MW482.55 g/mol
LogP4.17
Rot. Bonds6

About (3S,3'R,4'R,5'S)-4'-(2-fluoropropan-2-yl)-5'-(2-hydroxyethyl)-3'-methyl-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one

(3S,3'R,4'R,5'S)-4'-(2-fluoropropan-2-yl)-5'-(2-hydroxyethyl)-3'-methyl-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one (PubChem CID 23902421) has the molecular formula C27H31FN2O5 and a molecular weight of 482.55 g/mol. Its IUPAC name is (3S,3'R,4'R,5'S)-4'-(2-fluoropropan-2-yl)-5'-(2-hydroxyethyl)-3'-methyl-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one.

Molecular Properties

Compound Name(3S,3'R,4'R,5'S)-4'-(2-fluoropropan-2-yl)-5'-(2-hydroxyethyl)-3'-methyl-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one
PubChem CID23902421
Molecular FormulaC27H31FN2O5
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC Name(3S,3'R,4'R,5'S)-4'-(2-fluoropropan-2-yl)-5'-(2-hydroxyethyl)-3'-methyl-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one
SMILESC[C@@H]1[C@@H](C(C)(C)F)[C@H](CCO)O[C@@]12C(=O)N(Cc1ccc(N3CCOC3=O)cc1)c1ccccc12
InChIInChI=1S/C27H31FN2O5/c1-17-23(26(2,3)28)22(12-14-31)35-27(17)20-6-4-5-7-21(20)30(24(27)32)16-18-8-10-19(11-9-18)29-13-15-34-25(29)33/h4-11,17,22-23,31H,12-16H2,1-3H3/t17-,22+,23-,27+/m1/s1
InChIKeyCNWAZDRFJOBWLS-ATCQHAHASA-N
XLogP4.17
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,3'R,4'R,5'S)-4'-(2-fluoropropan-2-yl)-5'-(2-hydroxyethyl)-3'-methyl-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one with MolForge

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Related Compounds

(3R,3'S,4'S,5'R)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-(2-hydroxypropan-2-yl)-3'-methyl-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one
CID 23930571
(3S,3'R,4'R,5'S)-1-benzyl-4'-(2-fluoropropan-2-yl)-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxoazetidin-1-yl)spiro[indole-3,2'-oxolane]-2-one
CID 23846599
(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one
CID 23757557
(3R,3'S,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-(2-hydroxypropan-2-yl)-3'-methyl-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one
CID 23930596
(3R,3'S,4'S,5'R)-4'-(2-fluoropropan-2-yl)-5'-[2-[4-[(R)-hydroxy(phenyl)methyl]triazol-1-yl]ethyl]-3'-methyl-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one
CID 23789236
(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-methoxy-3'-methyl-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one
CID 23929442
(3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one
CID 23788113
N-benzyl-N-(2-hydroxyethyl)-2-[(2'R,3R,3'S,4'R)-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxo-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]acetamide
CID 23777756
(3R,3'S,5'S)-5'-(2-hydroxyethyl)-3'-methyl-1-[[4-(2-oxoazetidin-1-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one
CID 23958219
(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one
CID 23748760
(3S,3'S,4'R,5'S)-5-bromo-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one
CID 23759188
(3S,3'R,4'R,5'S)-4'-(2-fluoropropan-2-yl)-5'-(2-hydroxyethyl)-3'-methyl-5-(2-oxopiperidin-1-yl)-1-prop-2-enylspiro[indole-3,2'-oxolane]-2-one
CID 23789113

Frequently Asked Questions

What is the IUPAC name of (3S,3'R,4'R,5'S)-4'-(2-fluoropropan-2-yl)-5'-(2-hydroxyethyl)-3'-methyl-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one?
The IUPAC name of (3S,3'R,4'R,5'S)-4'-(2-fluoropropan-2-yl)-5'-(2-hydroxyethyl)-3'-methyl-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one (CID 23902421) is (3S,3'R,4'R,5'S)-4'-(2-fluoropropan-2-yl)-5'-(2-hydroxyethyl)-3'-methyl-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one.
What is the SMILES notation for (3S,3'R,4'R,5'S)-4'-(2-fluoropropan-2-yl)-5'-(2-hydroxyethyl)-3'-methyl-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one?
The canonical SMILES for (3S,3'R,4'R,5'S)-4'-(2-fluoropropan-2-yl)-5'-(2-hydroxyethyl)-3'-methyl-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one is C[C@@H]1[C@@H](C(C)(C)F)[C@H](CCO)O[C@@]12C(=O)N(Cc1ccc(N3CCOC3=O)cc1)c1ccccc12.
What is the InChIKey of (3S,3'R,4'R,5'S)-4'-(2-fluoropropan-2-yl)-5'-(2-hydroxyethyl)-3'-methyl-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one?
The InChIKey is CNWAZDRFJOBWLS-ATCQHAHASA-N. The full InChI is InChI=1S/C27H31FN2O5/c1-17-23(26(2,3)28)22(12-14-31)35-27(17)20-6-4-5-7-21(20)30(24(27)32)16-18-8-10-19(11-9-18)29-13-15-34-25(29)33/h4-11,17,22-23,31H,12-16H2,1-3H3/t17-,22+,23-,27+/m1/s1.
What are the key properties of (3S,3'R,4'R,5'S)-4'-(2-fluoropropan-2-yl)-5'-(2-hydroxyethyl)-3'-methyl-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one?
(3S,3'R,4'R,5'S)-4'-(2-fluoropropan-2-yl)-5'-(2-hydroxyethyl)-3'-methyl-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one has a molecular weight of 482.55 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3'R,4'R,5'S)-4'-(2-fluoropropan-2-yl)-5'-(2-hydroxyethyl)-3'-methyl-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23902421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).