methyl 3-[(2,4-dioxo-1,3-oxazolidin-5-yl)methyl]-1H-indole-6-carboxylate

C14H12N2O5 — CID 70303122

IUPACmethyl 3-[(2,4-dioxo-1,3-oxazolidin-5-yl)methyl]-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(CC3OC(=O)NC3=O)c[nH]c2c1
InChIInChI=1S/C14H12N2O5/c1-20-13(18)7-2-3-9-8(6-15-10(9)4-7)5-11-12(17)16-14(19)21-11/h2-4,6,11,15H,5H2,1H3,(H,16,17,19)
InChIKeyPAKPBJOSJFUBIY-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.13
Rot. Bonds3

About methyl 3-[(2,4-dioxo-1,3-oxazolidin-5-yl)methyl]-1H-indole-6-carboxylate

methyl 3-[(2,4-dioxo-1,3-oxazolidin-5-yl)methyl]-1H-indole-6-carboxylate (PubChem CID 70303122) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is methyl 3-[(2,4-dioxo-1,3-oxazolidin-5-yl)methyl]-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2,4-dioxo-1,3-oxazolidin-5-yl)methyl]-1H-indole-6-carboxylate
PubChem CID70303122
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Namemethyl 3-[(2,4-dioxo-1,3-oxazolidin-5-yl)methyl]-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(CC3OC(=O)NC3=O)c[nH]c2c1
InChIInChI=1S/C14H12N2O5/c1-20-13(18)7-2-3-9-8(6-15-10(9)4-7)5-11-12(17)16-14(19)21-11/h2-4,6,11,15H,5H2,1H3,(H,16,17,19)
InChIKeyPAKPBJOSJFUBIY-UHFFFAOYSA-N
XLogP1.13
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(2,4-dioxo-1,3-oxazolidin-5-yl)methyl]-1H-indole-6-carboxylate with MolForge

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Related Compounds

methyl 3-ethyl-1H-indole-6-carboxylate
CID 22627226
methyl 3-[[(3S)-morpholin-3-yl]methyl]-1H-indole-6-carboxylate
CID 67187780
methyl 3-(2-amino-3-methoxy-3-oxopropyl)-1H-indole-6-carboxylate
CID 20768833
6-methoxycarbonyl-1H-indole-3-carboxylic acid
CID 69186746
methyl 3-[(6-hydroxy-1H-indol-3-yl)methyl]benzoate
CID 58138575
methyl 3-(ethylcarbamoyl)-1H-indole-6-carboxylate
CID 91491470
methyl 3-(1H-indol-3-ylmethyl)-2-methyl-1H-indole-6-carboxylate
CID 163421235
methyl 4-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzoate
CID 22478824
methyl 4-oxo-3,5-dihydro-1H-furo[3,4-c]quinoline-7-carboxylate
CID 171572815
methyl 3-(furan-3-yl)-1H-indole-6-carboxylate
CID 69005805
methyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate
CID 113209461
methyl 3-(2-methyloxan-2-yl)-1H-indole-6-carboxylate
CID 170993355

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,4-dioxo-1,3-oxazolidin-5-yl)methyl]-1H-indole-6-carboxylate?
The IUPAC name of methyl 3-[(2,4-dioxo-1,3-oxazolidin-5-yl)methyl]-1H-indole-6-carboxylate (CID 70303122) is methyl 3-[(2,4-dioxo-1,3-oxazolidin-5-yl)methyl]-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 3-[(2,4-dioxo-1,3-oxazolidin-5-yl)methyl]-1H-indole-6-carboxylate?
The canonical SMILES for methyl 3-[(2,4-dioxo-1,3-oxazolidin-5-yl)methyl]-1H-indole-6-carboxylate is COC(=O)c1ccc2c(CC3OC(=O)NC3=O)c[nH]c2c1.
What is the InChIKey of methyl 3-[(2,4-dioxo-1,3-oxazolidin-5-yl)methyl]-1H-indole-6-carboxylate?
The InChIKey is PAKPBJOSJFUBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-20-13(18)7-2-3-9-8(6-15-10(9)4-7)5-11-12(17)16-14(19)21-11/h2-4,6,11,15H,5H2,1H3,(H,16,17,19).
What are the key properties of methyl 3-[(2,4-dioxo-1,3-oxazolidin-5-yl)methyl]-1H-indole-6-carboxylate?
methyl 3-[(2,4-dioxo-1,3-oxazolidin-5-yl)methyl]-1H-indole-6-carboxylate has a molecular weight of 288.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,4-dioxo-1,3-oxazolidin-5-yl)methyl]-1H-indole-6-carboxylate is sourced from PubChem (CID 70303122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).