[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)benzoate

C19H15N5O3 — CID 25492810

IUPAC[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)benzoate
SMILESC[C@@H](OC(=O)c1ccccc1-n1cnnn1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H15N5O3/c1-12(18(25)15-10-20-16-8-4-2-6-13(15)16)27-19(26)14-7-3-5-9-17(14)24-11-21-22-23-24/h2-12,20H,1H3/t12-/m1/s1
InChIKeyGSADYWABACPMNB-GFCCVEGCSA-N
MW361.36 g/mol
LogP2.57
Rot. Bonds5

About [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)benzoate

[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)benzoate (PubChem CID 25492810) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)benzoate
PubChem CID25492810
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC Name[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)benzoate
SMILESC[C@@H](OC(=O)c1ccccc1-n1cnnn1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H15N5O3/c1-12(18(25)15-10-20-16-8-4-2-6-13(15)16)27-19(26)14-7-3-5-9-17(14)24-11-21-22-23-24/h2-12,20H,1H3/t12-/m1/s1
InChIKeyGSADYWABACPMNB-GFCCVEGCSA-N
XLogP2.57
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)benzoate
CID 7399486
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] benzoate
CID 42984005
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133683
[(2S)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)benzoate
CID 7261397
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 42901001
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 46790132
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 7609192
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[(S)-methylsulfinyl]benzoate
CID 11927398
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765061
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)benzoate
CID 42899893
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765059
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 7797163

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)benzoate?
The IUPAC name of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)benzoate (CID 25492810) is [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)benzoate?
The canonical SMILES for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)benzoate is C[C@@H](OC(=O)c1ccccc1-n1cnnn1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)benzoate?
The InChIKey is GSADYWABACPMNB-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H15N5O3/c1-12(18(25)15-10-20-16-8-4-2-6-13(15)16)27-19(26)14-7-3-5-9-17(14)24-11-21-22-23-24/h2-12,20H,1H3/t12-/m1/s1.
What are the key properties of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)benzoate?
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)benzoate has a molecular weight of 361.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 25492810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).