5-[(1-cyclohexyl-3-methyl-2-oxoindol-3-yl)methyl]-1,3-oxazolidin-2-one

C19H24N2O3 — CID 118529022

IUPAC5-[(1-cyclohexyl-3-methyl-2-oxoindol-3-yl)methyl]-1,3-oxazolidin-2-one
SMILESCC1(CC2CNC(=O)O2)C(=O)N(C2CCCCC2)c2ccccc21
InChIInChI=1S/C19H24N2O3/c1-19(11-14-12-20-18(23)24-14)15-9-5-6-10-16(15)21(17(19)22)13-7-3-2-4-8-13/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H,20,23)
InChIKeyLKKRRFMJAWWJAG-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.12
Rot. Bonds3

About 5-[(1-cyclohexyl-3-methyl-2-oxoindol-3-yl)methyl]-1,3-oxazolidin-2-one

5-[(1-cyclohexyl-3-methyl-2-oxoindol-3-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 118529022) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 5-[(1-cyclohexyl-3-methyl-2-oxoindol-3-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(1-cyclohexyl-3-methyl-2-oxoindol-3-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID118529022
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name5-[(1-cyclohexyl-3-methyl-2-oxoindol-3-yl)methyl]-1,3-oxazolidin-2-one
SMILESCC1(CC2CNC(=O)O2)C(=O)N(C2CCCCC2)c2ccccc21
InChIInChI=1S/C19H24N2O3/c1-19(11-14-12-20-18(23)24-14)15-9-5-6-10-16(15)21(17(19)22)13-7-3-2-4-8-13/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H,20,23)
InChIKeyLKKRRFMJAWWJAG-UHFFFAOYSA-N
XLogP3.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-cyclohexyl-1-[(2-methoxyethyl)(methyl)carbamoyl]ethyl N-[(2S)-1-(5-fluoro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)propan-2-yl]carbamate
CID 23648382
(1S)-2-cyclohexyl-1-(dimethylcarbamoyl)ethyl N-[(2S)-1-(5-fluoro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)propan-2-yl]carbamate
CID 23648383
(2S)-1-(azetidin-1-yl)-3-cyclohexyl-1-oxopropan-2-yl N-[(2S)-1-(5-fluoro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)propan-2-yl]carbamate
CID 23648384
(2S)-3-cyclohexyl-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl N-[(2S)-1-(5-fluoro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)propan-2-yl]carbamate
CID 23648385
(2S)-3-cyclohexyl-1-oxo-1-(piperidin-1-yl)propan-2-yl N-[(2S)-1-(5-fluoro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)propan-2-yl]carbamate
CID 23648386
Methyl (3s,5'r)-2-Oxo-1,2-Dihydrospiro[indole-3,3'-Pyrrolidine]-5'-Carboxylate
CID 56940704
Tetrahydro-2h-Pyran-4-Yl (3s,5'r)-2-Oxo-1,2-Dihydrospiro[indole-3,3'-Pyrrolidine]-5'-Carboxylate
CID 56940705
1-O'-tert-butyl 2-O'-methyl (2'S,3R)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1',2'-dicarboxylate
CID 69811840
N-[[(3S,3aS)-1-oxo-6-phenyl-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide
CID 44274324
(1-methoxycarbonylpiperidin-4-yl) (2'R,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
CID 71450318
N-(1-ethyl-2-oxospiro[indole-3,4'-oxane]-5-yl)-2-methoxyacetamide
CID 97507307
5-(Butan-2-ylamino)-1-phenylspiro[indole-3,4'-oxane]-2-one
CID 118739021

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclohexyl-3-methyl-2-oxoindol-3-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(1-cyclohexyl-3-methyl-2-oxoindol-3-yl)methyl]-1,3-oxazolidin-2-one (CID 118529022) is 5-[(1-cyclohexyl-3-methyl-2-oxoindol-3-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(1-cyclohexyl-3-methyl-2-oxoindol-3-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(1-cyclohexyl-3-methyl-2-oxoindol-3-yl)methyl]-1,3-oxazolidin-2-one is CC1(CC2CNC(=O)O2)C(=O)N(C2CCCCC2)c2ccccc21.
What is the InChIKey of 5-[(1-cyclohexyl-3-methyl-2-oxoindol-3-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is LKKRRFMJAWWJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(11-14-12-20-18(23)24-14)15-9-5-6-10-16(15)21(17(19)22)13-7-3-2-4-8-13/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H,20,23).
What are the key properties of 5-[(1-cyclohexyl-3-methyl-2-oxoindol-3-yl)methyl]-1,3-oxazolidin-2-one?
5-[(1-cyclohexyl-3-methyl-2-oxoindol-3-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 328.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclohexyl-3-methyl-2-oxoindol-3-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 118529022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).