N-[[2-(5-oxo-1H-tetrazol-4-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide

C10H8F3N5O3 — CID 136997031

IUPACN-[[2-(5-oxo-1H-tetrazol-4-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide
SMILESO=CNOCc1c(-n2nn[nH]c2=O)cccc1C(F)(F)F
InChIInChI=1S/C10H8F3N5O3/c11-10(12,13)7-2-1-3-8(6(7)4-21-14-5-19)18-9(20)15-16-17-18/h1-3,5H,4H2,(H,14,19)(H,15,17,20)
InChIKeyBTZKILJJEHBUJD-UHFFFAOYSA-N
MW303.20 g/mol
LogP0.15
Rot. Bonds5

About N-[[2-(5-oxo-1H-tetrazol-4-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide

N-[[2-(5-oxo-1H-tetrazol-4-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide (PubChem CID 136997031) has the molecular formula C10H8F3N5O3 and a molecular weight of 303.20 g/mol. Its IUPAC name is N-[[2-(5-oxo-1H-tetrazol-4-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide.

Molecular Properties

Compound NameN-[[2-(5-oxo-1H-tetrazol-4-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide
PubChem CID136997031
Molecular FormulaC10H8F3N5O3
Molecular Weight303.20 g/mol
Exact Mass303.06
IUPAC NameN-[[2-(5-oxo-1H-tetrazol-4-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide
SMILESO=CNOCc1c(-n2nn[nH]c2=O)cccc1C(F)(F)F
InChIInChI=1S/C10H8F3N5O3/c11-10(12,13)7-2-1-3-8(6(7)4-21-14-5-19)18-9(20)15-16-17-18/h1-3,5H,4H2,(H,14,19)(H,15,17,20)
InChIKeyBTZKILJJEHBUJD-UHFFFAOYSA-N
XLogP0.15
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-oxo-1H-tetrazol-4-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide?
The IUPAC name of N-[[2-(5-oxo-1H-tetrazol-4-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide (CID 136997031) is N-[[2-(5-oxo-1H-tetrazol-4-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide.
What is the SMILES notation for N-[[2-(5-oxo-1H-tetrazol-4-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide?
The canonical SMILES for N-[[2-(5-oxo-1H-tetrazol-4-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide is O=CNOCc1c(-n2nn[nH]c2=O)cccc1C(F)(F)F.
What is the InChIKey of N-[[2-(5-oxo-1H-tetrazol-4-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide?
The InChIKey is BTZKILJJEHBUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5O3/c11-10(12,13)7-2-1-3-8(6(7)4-21-14-5-19)18-9(20)15-16-17-18/h1-3,5H,4H2,(H,14,19)(H,15,17,20).
What are the key properties of N-[[2-(5-oxo-1H-tetrazol-4-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide?
N-[[2-(5-oxo-1H-tetrazol-4-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide has a molecular weight of 303.20 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-oxo-1H-tetrazol-4-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide is sourced from PubChem (CID 136997031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).