2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2H-tetrazol-5-yl)ethanimidate

C10H7N6O3- — CID 7422539

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2H-tetrazol-5-yl)ethanimidate
SMILESO=c1oc2ccccc2n1CC([O-])=Nc1nn[nH]n1
InChIInChI=1S/C10H8N6O3/c17-8(11-9-12-14-15-13-9)5-16-6-3-1-2-4-7(6)19-10(16)18/h1-4H,5H2,(H2,11,12,13,14,15,17)/p-1
InChIKeyAJKUUXMTWKYMQW-UHFFFAOYSA-M
MW259.20 g/mol
LogP-0.80
Rot. Bonds3

About 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2H-tetrazol-5-yl)ethanimidate

2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2H-tetrazol-5-yl)ethanimidate (PubChem CID 7422539) has the molecular formula C10H7N6O3- and a molecular weight of 259.20 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2H-tetrazol-5-yl)ethanimidate.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2H-tetrazol-5-yl)ethanimidate
PubChem CID7422539
Molecular FormulaC10H7N6O3-
Molecular Weight259.20 g/mol
Exact Mass259.06
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2H-tetrazol-5-yl)ethanimidate
SMILESO=c1oc2ccccc2n1CC([O-])=Nc1nn[nH]n1
InChIInChI=1S/C10H8N6O3/c17-8(11-9-12-14-15-13-9)5-16-6-3-1-2-4-7(6)19-10(16)18/h1-4H,5H2,(H2,11,12,13,14,15,17)/p-1
InChIKeyAJKUUXMTWKYMQW-UHFFFAOYSA-M
XLogP-0.80
TPSA125.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2H-tetrazol-5-yl)ethanimidate 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

N'-hydroxy-2-(2-oxo-1,3-benzoxazol-3-yl)ethanimidamide
CID 44721311
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(propan-2-ylideneamino)acetamide
CID 89398509
N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 672457
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
3-[2-[(tert-butylamino)methyl]prop-2-enyl]-1,3-benzoxazol-2-one
CID 103071721
N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 60519288
phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 3605071
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 125165614
N-cyano-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 79194815
3-[(pyridin-2-ylamino)methyl]-1,3-benzoxazol-2-one
CID 4093318
3-[(6-chloropyridazin-3-yl)methyl]-1,3-benzoxazol-2-one
CID 104513870
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 48507067

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2H-tetrazol-5-yl)ethanimidate?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2H-tetrazol-5-yl)ethanimidate (CID 7422539) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2H-tetrazol-5-yl)ethanimidate.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2H-tetrazol-5-yl)ethanimidate?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2H-tetrazol-5-yl)ethanimidate is O=c1oc2ccccc2n1CC([O-])=Nc1nn[nH]n1.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2H-tetrazol-5-yl)ethanimidate?
The InChIKey is AJKUUXMTWKYMQW-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8N6O3/c17-8(11-9-12-14-15-13-9)5-16-6-3-1-2-4-7(6)19-10(16)18/h1-4H,5H2,(H2,11,12,13,14,15,17)/p-1.
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2H-tetrazol-5-yl)ethanimidate?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2H-tetrazol-5-yl)ethanimidate has a molecular weight of 259.20 g/mol, XLogP of -0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2H-tetrazol-5-yl)ethanimidate is sourced from PubChem (CID 7422539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).