N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide

C11H10F3N5O3 — CID 130318582

IUPACN-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide
SMILESCn1nnn(-c2cccc(C(F)(F)F)c2CONC=O)c1=O
InChIInChI=1S/C11H10F3N5O3/c1-18-10(21)19(17-16-18)9-4-2-3-8(11(12,13)14)7(9)5-22-15-6-20/h2-4,6H,5H2,1H3,(H,15,20)
InChIKeyBDQHKWYDQRJPSS-UHFFFAOYSA-N
MW317.23 g/mol
LogP0.16
Rot. Bonds5

About N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide

N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide (PubChem CID 130318582) has the molecular formula C11H10F3N5O3 and a molecular weight of 317.23 g/mol. Its IUPAC name is N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide.

Molecular Properties

Compound NameN-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide
PubChem CID130318582
Molecular FormulaC11H10F3N5O3
Molecular Weight317.23 g/mol
Exact Mass317.07
IUPAC NameN-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide
SMILESCn1nnn(-c2cccc(C(F)(F)F)c2CONC=O)c1=O
InChIInChI=1S/C11H10F3N5O3/c1-18-10(21)19(17-16-18)9-4-2-3-8(11(12,13)14)7(9)5-22-15-6-20/h2-4,6H,5H2,1H3,(H,15,20)
InChIKeyBDQHKWYDQRJPSS-UHFFFAOYSA-N
XLogP0.16
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide?
The IUPAC name of N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide (CID 130318582) is N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide.
What is the SMILES notation for N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide?
The canonical SMILES for N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide is Cn1nnn(-c2cccc(C(F)(F)F)c2CONC=O)c1=O.
What is the InChIKey of N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide?
The InChIKey is BDQHKWYDQRJPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O3/c1-18-10(21)19(17-16-18)9-4-2-3-8(11(12,13)14)7(9)5-22-15-6-20/h2-4,6H,5H2,1H3,(H,15,20).
What are the key properties of N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide?
N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide has a molecular weight of 317.23 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-(trifluoromethyl)phenyl]methoxy]formamide is sourced from PubChem (CID 130318582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).