[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate

C16H14N2O4 — CID 47009507

IUPAC[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OC(C)C(=O)c2c[nH]c3ccccc23)on1
InChIInChI=1S/C16H14N2O4/c1-9-7-14(22-18-9)16(20)21-10(2)15(19)12-8-17-13-6-4-3-5-11(12)13/h3-8,10,17H,1-2H3
InChIKeyQQDLPKCCGPSWSS-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.89
Rot. Bonds4

About [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate

[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate (PubChem CID 47009507) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
PubChem CID47009507
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OC(C)C(=O)c2c[nH]c3ccccc23)on1
InChIInChI=1S/C16H14N2O4/c1-9-7-14(22-18-9)16(20)21-10(2)15(19)12-8-17-13-6-4-3-5-11(12)13/h3-8,10,17H,1-2H3
InChIKeyQQDLPKCCGPSWSS-UHFFFAOYSA-N
XLogP2.89
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
CID 30656820
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] benzoate
CID 42984005
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3,5-dimethoxy-4-methylbenzoate
CID 55325807
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 46790132
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-nitrofuran-2-carboxylate
CID 9454840
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7789907
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 94874116
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-fluoro-4-methylbenzoate
CID 9387014
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 7797163
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 8013162
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 43001103
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 8631199

Frequently Asked Questions

What is the IUPAC name of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate?
The IUPAC name of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate (CID 47009507) is [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate is Cc1cc(C(=O)OC(C)C(=O)c2c[nH]c3ccccc23)on1.
What is the InChIKey of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate?
The InChIKey is QQDLPKCCGPSWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-9-7-14(22-18-9)16(20)21-10(2)15(19)12-8-17-13-6-4-3-5-11(12)13/h3-8,10,17H,1-2H3.
What are the key properties of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate?
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate has a molecular weight of 298.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 47009507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).