5-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole

C11H6F3N5O — CID 2744452

IUPAC5-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole
SMILESFC(F)(F)c1ccc(-n2nnnc2-c2ccno2)cc1
InChIInChI=1S/C11H6F3N5O/c12-11(13,14)7-1-3-8(4-2-7)19-10(16-17-18-19)9-5-6-15-20-9/h1-6H
InChIKeyRLCMJCKBOMYQAL-UHFFFAOYSA-N
MW281.20 g/mol
LogP2.34
Rot. Bonds2

About 5-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole

5-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole (PubChem CID 2744452) has the molecular formula C11H6F3N5O and a molecular weight of 281.20 g/mol. Its IUPAC name is 5-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole
PubChem CID2744452
Molecular FormulaC11H6F3N5O
Molecular Weight281.20 g/mol
Exact Mass281.05
IUPAC Name5-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole
SMILESFC(F)(F)c1ccc(-n2nnnc2-c2ccno2)cc1
InChIInChI=1S/C11H6F3N5O/c12-11(13,14)7-1-3-8(4-2-7)19-10(16-17-18-19)9-5-6-15-20-9/h1-6H
InChIKeyRLCMJCKBOMYQAL-UHFFFAOYSA-N
XLogP2.34
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole 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

5-[1-(4-chlorophenyl)-1H-1,2,3,4-tetraazol-5-yl]isoxazole
CID 2744453
N-(5-methyl-3-isoxazolyl)-N-{2-[1-(4-methylphenyl)-1H-tetraazol-5-yl]vinyl}amine
CID 7285283
5-[5-Ethyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-4-methyl-1,2-oxazole
CID 166368425
5-Methyl-3-[5-(4-nitrophenyl)tetrazol-1-yl]isoxazole
CID 370116
N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethanimine
CID 51516724
5-[1-(3,5-Dichlorophenyl)tetrazol-5-yl]-1,2-oxazole
CID 2744451
5-methyl-N-[2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-1,2-oxazol-3-amine
CID 5075955
5-methyl-N-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-1,2-oxazol-3-amine
CID 6263839
5-[[1-(4-Methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
CID 16384378
3-cyclopropyl-5-isoxazol-5-yl-1-phenyl-1H-1,2,4-triazole
CID 50954371
N-(1,2-oxazol-5-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 106415586
1-(1,2-oxazol-5-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 106417775

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole?
The IUPAC name of 5-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole (CID 2744452) is 5-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 5-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole?
The canonical SMILES for 5-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole is FC(F)(F)c1ccc(-n2nnnc2-c2ccno2)cc1.
What is the InChIKey of 5-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole?
The InChIKey is RLCMJCKBOMYQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N5O/c12-11(13,14)7-1-3-8(4-2-7)19-10(16-17-18-19)9-5-6-15-20-9/h1-6H.
What are the key properties of 5-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole?
5-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole has a molecular weight of 281.20 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 2744452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).