ethyl 1-(1-anilino-1-oxopropan-2-yl)tetrazole-5-carboxylate

C13H15N5O3 — CID 79309339

IUPACethyl 1-(1-anilino-1-oxopropan-2-yl)tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1C(C)C(=O)Nc1ccccc1
InChIInChI=1S/C13H15N5O3/c1-3-21-13(20)11-15-16-17-18(11)9(2)12(19)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,14,19)
InChIKeyCACWEHANJWNNAI-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.05
Rot. Bonds5

About ethyl 1-(1-anilino-1-oxopropan-2-yl)tetrazole-5-carboxylate

ethyl 1-(1-anilino-1-oxopropan-2-yl)tetrazole-5-carboxylate (PubChem CID 79309339) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is ethyl 1-(1-anilino-1-oxopropan-2-yl)tetrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-anilino-1-oxopropan-2-yl)tetrazole-5-carboxylate
PubChem CID79309339
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Nameethyl 1-(1-anilino-1-oxopropan-2-yl)tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1C(C)C(=O)Nc1ccccc1
InChIInChI=1S/C13H15N5O3/c1-3-21-13(20)11-15-16-17-18(11)9(2)12(19)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,14,19)
InChIKeyCACWEHANJWNNAI-UHFFFAOYSA-N
XLogP1.05
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-[1-(methylamino)-1-oxopropan-2-yl]tetrazole-5-carboxylate
CID 79317682
ethyl 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]tetrazole-5-carboxylate
CID 79317381
ethyl 1-[1-oxo-1-(pentylamino)propan-2-yl]tetrazole-5-carboxylate
CID 79317458
1-(1-anilino-1-oxopropan-2-yl)-5-methyltriazole-4-carboxamide
CID 82201974
dimethyl 1-(1-anilino-1-oxopropan-2-yl)triazole-4,5-dicarboxylate
CID 50927850
ethyl 4-anilino-3-methyl-4-oxobutanoate
CID 10633516
2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 47406603
ethyl 4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanoylamino]benzoate
CID 90517480
ethyl 4-[[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]acetyl]amino]benzoate
CID 2244064
ethyl 3-anilino-3-oxo-2-phenylpropanoate
CID 10062364
3-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]triazole-4-carboxylic acid
CID 82194766
ethyl 4-(2-piperidin-1-ylpropanoylamino)benzoate chloride
CID 53428809

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-anilino-1-oxopropan-2-yl)tetrazole-5-carboxylate?
The IUPAC name of ethyl 1-(1-anilino-1-oxopropan-2-yl)tetrazole-5-carboxylate (CID 79309339) is ethyl 1-(1-anilino-1-oxopropan-2-yl)tetrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-(1-anilino-1-oxopropan-2-yl)tetrazole-5-carboxylate?
The canonical SMILES for ethyl 1-(1-anilino-1-oxopropan-2-yl)tetrazole-5-carboxylate is CCOC(=O)c1nnnn1C(C)C(=O)Nc1ccccc1.
What is the InChIKey of ethyl 1-(1-anilino-1-oxopropan-2-yl)tetrazole-5-carboxylate?
The InChIKey is CACWEHANJWNNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-3-21-13(20)11-15-16-17-18(11)9(2)12(19)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,14,19).
What are the key properties of ethyl 1-(1-anilino-1-oxopropan-2-yl)tetrazole-5-carboxylate?
ethyl 1-(1-anilino-1-oxopropan-2-yl)tetrazole-5-carboxylate has a molecular weight of 289.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-anilino-1-oxopropan-2-yl)tetrazole-5-carboxylate is sourced from PubChem (CID 79309339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).