N-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine

C13H11FN6O — CID 5059771

IUPACN-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(NC=Cc2nnnn2-c2ccc(F)cc2)no1
InChIInChI=1S/C13H11FN6O/c1-9-8-12(17-21-9)15-7-6-13-16-18-19-20(13)11-4-2-10(14)3-5-11/h2-8H,1H3,(H,15,17)
InChIKeyINKPGXLYSOPTSI-UHFFFAOYSA-N
MW286.27 g/mol
LogP2.18
Rot. Bonds4

About N-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine

N-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine (PubChem CID 5059771) has the molecular formula C13H11FN6O and a molecular weight of 286.27 g/mol. Its IUPAC name is N-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine
PubChem CID5059771
Molecular FormulaC13H11FN6O
Molecular Weight286.27 g/mol
Exact Mass286.10
IUPAC NameN-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(NC=Cc2nnnn2-c2ccc(F)cc2)no1
InChIInChI=1S/C13H11FN6O/c1-9-8-12(17-21-9)15-7-6-13-16-18-19-20(13)11-4-2-10(14)3-5-11/h2-8H,1H3,(H,15,17)
InChIKeyINKPGXLYSOPTSI-UHFFFAOYSA-N
XLogP2.18
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of N-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine (CID 5059771) is N-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for N-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine is Cc1cc(NC=Cc2nnnn2-c2ccc(F)cc2)no1.
What is the InChIKey of N-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine?
The InChIKey is INKPGXLYSOPTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN6O/c1-9-8-12(17-21-9)15-7-6-13-16-18-19-20(13)11-4-2-10(14)3-5-11/h2-8H,1H3,(H,15,17).
What are the key properties of N-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine?
N-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine has a molecular weight of 286.27 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 5059771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).