[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(tetrazol-1-yl)benzoate

C14H11N5O3 — CID 8902803

IUPAC[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(tetrazol-1-yl)benzoate
SMILESO=C(OCC(=O)c1ccc[nH]1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H11N5O3/c20-13(12-2-1-7-15-12)8-22-14(21)10-3-5-11(6-4-10)19-9-16-17-18-19/h1-7,9,15H,8H2
InChIKeyBPEXVSINNSEIDA-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.03
Rot. Bonds5

About [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(tetrazol-1-yl)benzoate

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(tetrazol-1-yl)benzoate (PubChem CID 8902803) has the molecular formula C14H11N5O3 and a molecular weight of 297.27 g/mol. Its IUPAC name is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(tetrazol-1-yl)benzoate
PubChem CID8902803
Molecular FormulaC14H11N5O3
Molecular Weight297.27 g/mol
Exact Mass297.09
IUPAC Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(tetrazol-1-yl)benzoate
SMILESO=C(OCC(=O)c1ccc[nH]1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H11N5O3/c20-13(12-2-1-7-15-12)8-22-14(21)10-3-5-11(6-4-10)19-9-16-17-18-19/h1-7,9,15H,8H2
InChIKeyBPEXVSINNSEIDA-UHFFFAOYSA-N
XLogP1.03
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(tetrazol-1-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-ethylphenyl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2535527
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-formylbenzoate
CID 4674121
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-methylbenzoate
CID 3999225
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 7500735
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(4-hydroxyphenyl)benzoate
CID 7283950
[2-(1-adamantyl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 7500731
[2-(ethoxycarbonylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2535658
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-(tetrazol-1-yl)benzoate
CID 7990649
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 4-(tetrazol-1-yl)benzoate
CID 31452805
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2665575
(3-bromo-2-fluorophenyl)methyl 4-(tetrazol-1-yl)benzoate
CID 146023925
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 30431324

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(tetrazol-1-yl)benzoate?
The IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(tetrazol-1-yl)benzoate (CID 8902803) is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(tetrazol-1-yl)benzoate?
The canonical SMILES for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(tetrazol-1-yl)benzoate is O=C(OCC(=O)c1ccc[nH]1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(tetrazol-1-yl)benzoate?
The InChIKey is BPEXVSINNSEIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O3/c20-13(12-2-1-7-15-12)8-22-14(21)10-3-5-11(6-4-10)19-9-16-17-18-19/h1-7,9,15H,8H2.
What are the key properties of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(tetrazol-1-yl)benzoate?
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(tetrazol-1-yl)benzoate has a molecular weight of 297.27 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 8902803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).