9H-fluoren-9-ylmethyl (4S)-4-(cyclohexylmethyl)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate

C26H29NO4 — CID 163585148

IUPAC9H-fluoren-9-ylmethyl (4S)-4-(cyclohexylmethyl)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC1OC(=O)[C@H](CC2CCCCC2)N1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H29NO4/c1-17-27(24(25(28)31-17)15-18-9-3-2-4-10-18)26(29)30-16-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h5-8,11-14,17-18,23-24H,2-4,9-10,15-16H2,1H3/t17?,24-/m0/s1
InChIKeyGKWDMWQOGPBZFQ-UCSBTNPJSA-N
MW419.52 g/mol
LogP5.48
Rot. Bonds4

About 9H-fluoren-9-ylmethyl (4S)-4-(cyclohexylmethyl)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate

9H-fluoren-9-ylmethyl (4S)-4-(cyclohexylmethyl)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 163585148) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (4S)-4-(cyclohexylmethyl)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (4S)-4-(cyclohexylmethyl)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID163585148
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC Name9H-fluoren-9-ylmethyl (4S)-4-(cyclohexylmethyl)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC1OC(=O)[C@H](CC2CCCCC2)N1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H29NO4/c1-17-27(24(25(28)31-17)15-18-9-3-2-4-10-18)26(29)30-16-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h5-8,11-14,17-18,23-24H,2-4,9-10,15-16H2,1H3/t17?,24-/m0/s1
InChIKeyGKWDMWQOGPBZFQ-UCSBTNPJSA-N
XLogP5.48
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9H-fluoren-9-ylmethyl (4S)-4-(cyclohexylmethyl)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylazetidine-2-carboxylic acid
CID 154704783
9H-fluoren-9-ylmethyl cyclohexanecarboxylate
CID 22102217
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444
9H-fluoren-9-ylmethyl 3-propyl-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171951277
9H-fluoren-9-ylmethyl 3-cycloheptyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171964943
9H-fluoren-9-ylmethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171937278
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
9H-fluoren-9-ylmethyl (4S)-5-oxo-4-[(1-prop-2-enoxycarbonylpiperidin-4-yl)methyl]-1,3-oxazolidine-3-carboxylate
CID 169024984
9H-fluoren-9-ylmethyl (4S)-4-(ethoxymethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 121333131
9H-fluoren-9-ylmethyl 3-(fluorosulfonylmethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171937374
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)azepane-1-carboxylate
CID 130858128

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (4S)-4-(cyclohexylmethyl)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (4S)-4-(cyclohexylmethyl)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate (CID 163585148) is 9H-fluoren-9-ylmethyl (4S)-4-(cyclohexylmethyl)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (4S)-4-(cyclohexylmethyl)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (4S)-4-(cyclohexylmethyl)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate is CC1OC(=O)[C@H](CC2CCCCC2)N1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl (4S)-4-(cyclohexylmethyl)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is GKWDMWQOGPBZFQ-UCSBTNPJSA-N. The full InChI is InChI=1S/C26H29NO4/c1-17-27(24(25(28)31-17)15-18-9-3-2-4-10-18)26(29)30-16-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h5-8,11-14,17-18,23-24H,2-4,9-10,15-16H2,1H3/t17?,24-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (4S)-4-(cyclohexylmethyl)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate?
9H-fluoren-9-ylmethyl (4S)-4-(cyclohexylmethyl)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 419.52 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (4S)-4-(cyclohexylmethyl)-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 163585148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).