carbamoyl 3-[1-(2-methylpropyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidine-5-carboxylate

C17H19N3O6 — CID 91557908

IUPACcarbamoyl 3-[1-(2-methylpropyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidine-5-carboxylate
SMILESCC(C)CN1C(=O)Cc2cc(N3CC(C(=O)OC(N)=O)OC3=O)ccc21
InChIInChI=1S/C17H19N3O6/c1-9(2)7-20-12-4-3-11(5-10(12)6-14(20)21)19-8-13(25-17(19)24)15(22)26-16(18)23/h3-5,9,13H,6-8H2,1-2H3,(H2,18,23)
InChIKeyARZCEBMMZZNZIG-UHFFFAOYSA-N
MW361.35 g/mol
LogP1.18
Rot. Bonds4

About carbamoyl 3-[1-(2-methylpropyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidine-5-carboxylate

carbamoyl 3-[1-(2-methylpropyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidine-5-carboxylate (PubChem CID 91557908) has the molecular formula C17H19N3O6 and a molecular weight of 361.35 g/mol. Its IUPAC name is carbamoyl 3-[1-(2-methylpropyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidine-5-carboxylate.

Molecular Properties

Compound Namecarbamoyl 3-[1-(2-methylpropyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidine-5-carboxylate
PubChem CID91557908
Molecular FormulaC17H19N3O6
Molecular Weight361.35 g/mol
Exact Mass361.13
IUPAC Namecarbamoyl 3-[1-(2-methylpropyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidine-5-carboxylate
SMILESCC(C)CN1C(=O)Cc2cc(N3CC(C(=O)OC(N)=O)OC3=O)ccc21
InChIInChI=1S/C17H19N3O6/c1-9(2)7-20-12-4-3-11(5-10(12)6-14(20)21)19-8-13(25-17(19)24)15(22)26-16(18)23/h3-5,9,13H,6-8H2,1-2H3,(H2,18,23)
InChIKeyARZCEBMMZZNZIG-UHFFFAOYSA-N
XLogP1.18
TPSA119.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze carbamoyl 3-[1-(2-methylpropyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidine-5-carboxylate with MolForge

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Related Compounds

(5R)-3-[1-(1-aminopropan-2-yl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 138624683
(5R)-3-[1-(2-fluoroethyl)-2-oxo-3H-indol-5-yl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58599566
azane;(5R)-3-(1-cyclobutyl-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 160735007
N-[[3-[1-(2-fluoroethyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 72572015
[(5S)-3-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid
CID 154336365
(5R)-3-(4-tert-butyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58746383
(5R)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 10149461
(5R)-3-(4-cyclopropyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58746333
(5R)-3-(7-fluoro-1-methyl-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 11536643
butyl 3-(1-ethyl-3,3-difluoro-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate
CID 73084632
5-amino-1-(3-oxobutyl)-3H-indol-2-one
CID 115235380
carbamoyl 2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidine-5-carboxylate
CID 90880726

Frequently Asked Questions

What is the IUPAC name of carbamoyl 3-[1-(2-methylpropyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidine-5-carboxylate?
The IUPAC name of carbamoyl 3-[1-(2-methylpropyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidine-5-carboxylate (CID 91557908) is carbamoyl 3-[1-(2-methylpropyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidine-5-carboxylate.
What is the SMILES notation for carbamoyl 3-[1-(2-methylpropyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidine-5-carboxylate?
The canonical SMILES for carbamoyl 3-[1-(2-methylpropyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidine-5-carboxylate is CC(C)CN1C(=O)Cc2cc(N3CC(C(=O)OC(N)=O)OC3=O)ccc21.
What is the InChIKey of carbamoyl 3-[1-(2-methylpropyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidine-5-carboxylate?
The InChIKey is ARZCEBMMZZNZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6/c1-9(2)7-20-12-4-3-11(5-10(12)6-14(20)21)19-8-13(25-17(19)24)15(22)26-16(18)23/h3-5,9,13H,6-8H2,1-2H3,(H2,18,23).
What are the key properties of carbamoyl 3-[1-(2-methylpropyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidine-5-carboxylate?
carbamoyl 3-[1-(2-methylpropyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidine-5-carboxylate has a molecular weight of 361.35 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 3-[1-(2-methylpropyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidine-5-carboxylate is sourced from PubChem (CID 91557908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).