[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate

C23H19NO5 — CID 7892988

IUPAC[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate
SMILESC[C@H](OC(=O)c1ccc(COc2ccccc2)o1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C23H19NO5/c1-15(22(25)19-13-24-20-10-6-5-9-18(19)20)28-23(26)21-12-11-17(29-21)14-27-16-7-3-2-4-8-16/h2-13,15,24H,14H2,1H3/t15-/m0/s1
InChIKeyVUSNZVRYZVSTBR-HNNXBMFYSA-N
MW389.41 g/mol
LogP4.77
Rot. Bonds7

About [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate

[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate (PubChem CID 7892988) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate
PubChem CID7892988
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate
SMILESC[C@H](OC(=O)c1ccc(COc2ccccc2)o1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C23H19NO5/c1-15(22(25)19-13-24-20-10-6-5-9-18(19)20)28-23(26)21-12-11-17(29-21)14-27-16-7-3-2-4-8-16/h2-13,15,24H,14H2,1H3/t15-/m0/s1
InChIKeyVUSNZVRYZVSTBR-HNNXBMFYSA-N
XLogP4.77
TPSA81.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate with MolForge

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Related Compounds

[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468756
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-nitrofuran-2-carboxylate
CID 9454840
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] benzoate
CID 42984005
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate
CID 46645247
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 46790132
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 8790821
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 47009507
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 8612958
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] quinoxaline-2-carboxylate
CID 30060169
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7789907
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7893043
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 7797163

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate?
The IUPAC name of [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate (CID 7892988) is [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate.
What is the SMILES notation for [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate?
The canonical SMILES for [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate is C[C@H](OC(=O)c1ccc(COc2ccccc2)o1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate?
The InChIKey is VUSNZVRYZVSTBR-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H19NO5/c1-15(22(25)19-13-24-20-10-6-5-9-18(19)20)28-23(26)21-12-11-17(29-21)14-27-16-7-3-2-4-8-16/h2-13,15,24H,14H2,1H3/t15-/m0/s1.
What are the key properties of [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate?
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate has a molecular weight of 389.41 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-(phenoxymethyl)furan-2-carboxylate is sourced from PubChem (CID 7892988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).