5-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole

C15H8F3N5O2 — CID 170102175

IUPAC5-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole
SMILESFC(F)(F)Oc1ccc(-c2onc3ccc(-c4nn[nH]n4)cc23)cc1
InChIInChI=1S/C15H8F3N5O2/c16-15(17,18)24-10-4-1-8(2-5-10)13-11-7-9(14-19-22-23-20-14)3-6-12(11)21-25-13/h1-7H,(H,19,20,22,23)
InChIKeyOPRMMWAPDMWRES-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.57
Rot. Bonds3

About 5-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole

5-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole (PubChem CID 170102175) has the molecular formula C15H8F3N5O2 and a molecular weight of 347.26 g/mol. Its IUPAC name is 5-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole.

Molecular Properties

Compound Name5-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole
PubChem CID170102175
Molecular FormulaC15H8F3N5O2
Molecular Weight347.26 g/mol
Exact Mass347.06
IUPAC Name5-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole
SMILESFC(F)(F)Oc1ccc(-c2onc3ccc(-c4nn[nH]n4)cc23)cc1
InChIInChI=1S/C15H8F3N5O2/c16-15(17,18)24-10-4-1-8(2-5-10)13-11-7-9(14-19-22-23-20-14)3-6-12(11)21-25-13/h1-7H,(H,19,20,22,23)
InChIKeyOPRMMWAPDMWRES-UHFFFAOYSA-N
XLogP3.57
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole?
The IUPAC name of 5-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole (CID 170102175) is 5-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole.
What is the SMILES notation for 5-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole?
The canonical SMILES for 5-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole is FC(F)(F)Oc1ccc(-c2onc3ccc(-c4nn[nH]n4)cc23)cc1.
What is the InChIKey of 5-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole?
The InChIKey is OPRMMWAPDMWRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N5O2/c16-15(17,18)24-10-4-1-8(2-5-10)13-11-7-9(14-19-22-23-20-14)3-6-12(11)21-25-13/h1-7H,(H,19,20,22,23).
What are the key properties of 5-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole?
5-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole has a molecular weight of 347.26 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole is sourced from PubChem (CID 170102175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).