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Tazanolast

C13H15N5O3 — CID 5380

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACbutyl 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetate
SMILESCCCCOC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C13H15N5O3/c1-2-3-7-21-13(20)12(19)14-10-6-4-5-9(8-10)11-15-17-18-16-11/h4-6,8H,2-3,7H2,1H3,(H,14,19)(H,15,16,17,18)
InChIKeyXQTARQNQIVVBRX-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.15
Rot. Bonds5

About Tazanolast

Tazanolast (PubChem CID 5380) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is butyl 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetate.

Molecular Properties

Compound NameTazanolast
PubChem CID5380
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Namebutyl 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetate
SMILESCCCCOC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C13H15N5O3/c1-2-3-7-21-13(20)12(19)14-10-6-4-5-9(8-10)11-15-17-18-16-11/h4-6,8H,2-3,7H2,1H3,(H,14,19)(H,15,16,17,18)
InChIKeyXQTARQNQIVVBRX-UHFFFAOYSA-N
XLogP1.15
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
butyl 2-(3-chloroanilino)-2-oxoacetate
CID 6424255
4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 60842609
3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 55104793
2-(aminomethyl)-2-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 115431915
(2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 61178824
3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62832165
3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17126994
2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62639485
heptyl 2-(3-chloroanilino)-2-oxoacetate
CID 6420863
2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110743282
2,3-dimethoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17164751

Frequently Asked Questions

What is the IUPAC name of Tazanolast?
The IUPAC name of Tazanolast (CID 5380) is butyl 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetate.
What is the SMILES notation for Tazanolast?
The canonical SMILES for Tazanolast is CCCCOC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of Tazanolast?
The InChIKey is XQTARQNQIVVBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-2-3-7-21-13(20)12(19)14-10-6-4-5-9(8-10)11-15-17-18-16-11/h4-6,8H,2-3,7H2,1H3,(H,14,19)(H,15,16,17,18).
What are the key properties of Tazanolast?
Tazanolast has a molecular weight of 289.30 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Tazanolast is sourced from PubChem (CID 5380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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