5-methyl-3-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole

C12H8F3N5O — CID 2744840

IUPAC5-methyl-3-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole
SMILESCc1cc(-c2nnnn2-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C12H8F3N5O/c1-7-6-10(17-21-7)11-16-18-19-20(11)9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3
InChIKeyAIKYTFPMHSFSPF-UHFFFAOYSA-N
MW295.22 g/mol
LogP2.64
Rot. Bonds2

About 5-methyl-3-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole

5-methyl-3-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole (PubChem CID 2744840) has the molecular formula C12H8F3N5O and a molecular weight of 295.22 g/mol. Its IUPAC name is 5-methyl-3-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole
PubChem CID2744840
Molecular FormulaC12H8F3N5O
Molecular Weight295.22 g/mol
Exact Mass295.07
IUPAC Name5-methyl-3-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole
SMILESCc1cc(-c2nnnn2-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C12H8F3N5O/c1-7-6-10(17-21-7)11-16-18-19-20(11)9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3
InChIKeyAIKYTFPMHSFSPF-UHFFFAOYSA-N
XLogP2.64
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole (CID 2744840) is 5-methyl-3-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole is Cc1cc(-c2nnnn2-c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of 5-methyl-3-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole?
The InChIKey is AIKYTFPMHSFSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5O/c1-7-6-10(17-21-7)11-16-18-19-20(11)9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3.
What are the key properties of 5-methyl-3-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole?
5-methyl-3-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole has a molecular weight of 295.22 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 2744840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).