4-benzyl-3-[2-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-3-methylbutanoyl]-1,3-oxazolidin-2-one

C27H33N3O4 — CID 68786320

IUPAC4-benzyl-3-[2-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-3-methylbutanoyl]-1,3-oxazolidin-2-one
SMILESCOCCCn1ncc2ccc(CC(C(=O)N3C(=O)OCC3Cc3ccccc3)C(C)C)cc21
InChIInChI=1S/C27H33N3O4/c1-19(2)24(15-21-10-11-22-17-28-29(25(22)16-21)12-7-13-33-3)26(31)30-23(18-34-27(30)32)14-20-8-5-4-6-9-20/h4-6,8-11,16-17,19,23-24H,7,12-15,18H2,1-3H3
InChIKeyBYPSZQJOXBSFTJ-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.48
Rot. Bonds10

About 4-benzyl-3-[2-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-3-methylbutanoyl]-1,3-oxazolidin-2-one

4-benzyl-3-[2-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-3-methylbutanoyl]-1,3-oxazolidin-2-one (PubChem CID 68786320) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is 4-benzyl-3-[2-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-3-methylbutanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[2-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-3-methylbutanoyl]-1,3-oxazolidin-2-one
PubChem CID68786320
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC Name4-benzyl-3-[2-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-3-methylbutanoyl]-1,3-oxazolidin-2-one
SMILESCOCCCn1ncc2ccc(CC(C(=O)N3C(=O)OCC3Cc3ccccc3)C(C)C)cc21
InChIInChI=1S/C27H33N3O4/c1-19(2)24(15-21-10-11-22-17-28-29(25(22)16-21)12-7-13-33-3)26(31)30-23(18-34-27(30)32)14-20-8-5-4-6-9-20/h4-6,8-11,16-17,19,23-24H,7,12-15,18H2,1-3H3
InChIKeyBYPSZQJOXBSFTJ-UHFFFAOYSA-N
XLogP4.48
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-benzyl-3-[2-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-3-methylbutanoyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4R)-4-benzyl-3-[(2S)-2-benzyl-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 10545886
4-benzyl-3-[(2S)-2-ethyl-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 175760920
(4S)-4-benzyl-3-(2-ethyl-3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 155316900
4-benzyl-3-[2-(hydroxymethyl)-3-methylbutanoyl]-1,3-oxazolidin-2-one;titanium(4+);tetrachloride
CID 173180549
(2R)-3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-tert-butyl-4-oxobutanoic acid
CID 175148741
(E,2S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-8-[3-(3-methoxypropoxy)-4-(trideuteriomethoxy)phenyl]-2,7-di(propan-2-yl)oct-4-ene-1,8-dione
CID 59326334
4-benzyl-3-[2-[2-(2-methoxyethoxymethoxy)ethyl]-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one
CID 118482741
(4S)-4-benzyl-3-[(2S)-2-bromo-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 14604024
(4R)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one
CID 118941522
(4R)-4-benzyl-3-[(2S)-3-fluoro-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 129274259
(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methylbutane-1,3-dione
CID 102120797
(4S)-4-benzyl-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 58566621

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[2-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-3-methylbutanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[2-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-3-methylbutanoyl]-1,3-oxazolidin-2-one (CID 68786320) is 4-benzyl-3-[2-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-3-methylbutanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[2-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-3-methylbutanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[2-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-3-methylbutanoyl]-1,3-oxazolidin-2-one is COCCCn1ncc2ccc(CC(C(=O)N3C(=O)OCC3Cc3ccccc3)C(C)C)cc21.
What is the InChIKey of 4-benzyl-3-[2-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-3-methylbutanoyl]-1,3-oxazolidin-2-one?
The InChIKey is BYPSZQJOXBSFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-19(2)24(15-21-10-11-22-17-28-29(25(22)16-21)12-7-13-33-3)26(31)30-23(18-34-27(30)32)14-20-8-5-4-6-9-20/h4-6,8-11,16-17,19,23-24H,7,12-15,18H2,1-3H3.
What are the key properties of 4-benzyl-3-[2-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-3-methylbutanoyl]-1,3-oxazolidin-2-one?
4-benzyl-3-[2-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-3-methylbutanoyl]-1,3-oxazolidin-2-one has a molecular weight of 463.58 g/mol, XLogP of 4.48, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[2-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-3-methylbutanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 68786320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).