3-(oxolan-2-ylmethylcarbamoyl)-1H-indole-4-carboxylic acid

C15H16N2O4 — CID 167919642

IUPAC3-(oxolan-2-ylmethylcarbamoyl)-1H-indole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]cc(C(=O)NCC3CCCO3)c12
InChIInChI=1S/C15H16N2O4/c18-14(17-7-9-3-2-6-21-9)11-8-16-12-5-1-4-10(13(11)12)15(19)20/h1,4-5,8-9,16H,2-3,6-7H2,(H,17,18)(H,19,20)
InChIKeyJSIHFNOHWITFKB-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.77
Rot. Bonds4

About 3-(oxolan-2-ylmethylcarbamoyl)-1H-indole-4-carboxylic acid

3-(oxolan-2-ylmethylcarbamoyl)-1H-indole-4-carboxylic acid (PubChem CID 167919642) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethylcarbamoyl)-1H-indole-4-carboxylic acid.

Molecular Properties

Compound Name3-(oxolan-2-ylmethylcarbamoyl)-1H-indole-4-carboxylic acid
PubChem CID167919642
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-(oxolan-2-ylmethylcarbamoyl)-1H-indole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]cc(C(=O)NCC3CCCO3)c12
InChIInChI=1S/C15H16N2O4/c18-14(17-7-9-3-2-6-21-9)11-8-16-12-5-1-4-10(13(11)12)15(19)20/h1,4-5,8-9,16H,2-3,6-7H2,(H,17,18)(H,19,20)
InChIKeyJSIHFNOHWITFKB-UHFFFAOYSA-N
XLogP1.77
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)-1H-benzimidazole-4-carboxamide
CID 110700823
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
N-(oxolan-2-ylmethyl)-1H-indazole-4-carboxamide
CID 47330976
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 29238764
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068
1-N-[[(2S)-oxolan-2-yl]methyl]-2-N,2-N-diphenylbenzene-1,2-dicarboxamide
CID 1277512
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide
CID 2981527
4-fluoro-N-(5-oxaspiro[3.5]nonan-6-ylmethyl)-1H-indole-3-carboxamide
CID 136565891
8-ethyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide
CID 25322575

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethylcarbamoyl)-1H-indole-4-carboxylic acid?
The IUPAC name of 3-(oxolan-2-ylmethylcarbamoyl)-1H-indole-4-carboxylic acid (CID 167919642) is 3-(oxolan-2-ylmethylcarbamoyl)-1H-indole-4-carboxylic acid.
What is the SMILES notation for 3-(oxolan-2-ylmethylcarbamoyl)-1H-indole-4-carboxylic acid?
The canonical SMILES for 3-(oxolan-2-ylmethylcarbamoyl)-1H-indole-4-carboxylic acid is O=C(O)c1cccc2[nH]cc(C(=O)NCC3CCCO3)c12.
What is the InChIKey of 3-(oxolan-2-ylmethylcarbamoyl)-1H-indole-4-carboxylic acid?
The InChIKey is JSIHFNOHWITFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-14(17-7-9-3-2-6-21-9)11-8-16-12-5-1-4-10(13(11)12)15(19)20/h1,4-5,8-9,16H,2-3,6-7H2,(H,17,18)(H,19,20).
What are the key properties of 3-(oxolan-2-ylmethylcarbamoyl)-1H-indole-4-carboxylic acid?
3-(oxolan-2-ylmethylcarbamoyl)-1H-indole-4-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethylcarbamoyl)-1H-indole-4-carboxylic acid is sourced from PubChem (CID 167919642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).