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

C13H11FN6O — CID 7285284

IUPACN-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(N/C=C\c2nnnn2-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)/b7-6-
InChIKeyINKPGXLYSOPTSI-SREVYHEPSA-N
MW286.27 g/mol
LogP2.18
Rot. Bonds4

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

N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine (PubChem CID 7285284) has the molecular formula C13H11FN6O and a molecular weight of 286.27 g/mol. Its IUPAC name is N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine
PubChem CID7285284
Molecular FormulaC13H11FN6O
Molecular Weight286.27 g/mol
Exact Mass286.10
IUPAC NameN-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(N/C=C\c2nnnn2-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)/b7-6-
InChIKeyINKPGXLYSOPTSI-SREVYHEPSA-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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Related Compounds

2-((1-(2-fluorophenyl)-1H-tetrazol-5-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 858892
N-(5-methyl-1,2-oxazol-3-yl)-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide
CID 702084
N-{2-[1-(4-bromophenyl)-1H-tetraazol-5-yl]vinyl}-5-tert-butyl-3-isoxazolamine
CID 7285277
3-[1-(4-fluorophenyl)-1H-1,2,3,4-tetraazol-5-yl]-5-methylisoxazole
CID 2744839
N-(5-methyl-3-isoxazolyl)-N-{2-[1-(4-methylphenyl)-1H-tetraazol-5-yl]vinyl}amine
CID 7285283
5-methyl-N-[2-(1-phenyl-1H-tetraazol-5-yl)vinyl]-3-isoxazolamine
CID 7285286
2-[1-(4-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 859401
5-tert-butyl-N-[2-(1-phenyltetrazol-5-yl)ethenyl]-1,2-oxazol-3-amine
CID 2815387
N-[2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-5-tert-butyl-1,2-oxazol-3-amine
CID 2815388
1-(5-methylisoxazol-3-yl)-3-(3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)urea
CID 7423839
N-[(E)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-5-tert-butyl-1,2-oxazol-3-amine
CID 5714803
2-[1-(4-fluorophenyl)tetrazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanimine
CID 51516723

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine (CID 7285284) is N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine is Cc1cc(N/C=C\c2nnnn2-c2ccc(F)cc2)no1.
What is the InChIKey of N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine?
The InChIKey is INKPGXLYSOPTSI-SREVYHEPSA-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)/b7-6-.
What are the key properties of N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine?
N-[(Z)-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-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 7285284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).