3-phenyl-5-(2H-tetrazol-5-yl)-2,1-benzoxazole

C14H9N5O — CID 170101021

IUPAC3-phenyl-5-(2H-tetrazol-5-yl)-2,1-benzoxazole
SMILESc1ccc(-c2onc3ccc(-c4nn[nH]n4)cc23)cc1
InChIInChI=1S/C14H9N5O/c1-2-4-9(5-3-1)13-11-8-10(14-15-18-19-16-14)6-7-12(11)17-20-13/h1-8H,(H,15,16,18,19)
InChIKeyQREZWQBEFHLIQN-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.67
Rot. Bonds2

About 3-phenyl-5-(2H-tetrazol-5-yl)-2,1-benzoxazole

3-phenyl-5-(2H-tetrazol-5-yl)-2,1-benzoxazole (PubChem CID 170101021) has the molecular formula C14H9N5O and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-phenyl-5-(2H-tetrazol-5-yl)-2,1-benzoxazole.

Molecular Properties

Compound Name3-phenyl-5-(2H-tetrazol-5-yl)-2,1-benzoxazole
PubChem CID170101021
Molecular FormulaC14H9N5O
Molecular Weight263.26 g/mol
Exact Mass263.08
IUPAC Name3-phenyl-5-(2H-tetrazol-5-yl)-2,1-benzoxazole
SMILESc1ccc(-c2onc3ccc(-c4nn[nH]n4)cc23)cc1
InChIInChI=1S/C14H9N5O/c1-2-4-9(5-3-1)13-11-8-10(14-15-18-19-16-14)6-7-12(11)17-20-13/h1-8H,(H,15,16,18,19)
InChIKeyQREZWQBEFHLIQN-UHFFFAOYSA-N
XLogP2.67
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-Benzylisoxazol-5-yl)-1h-indazol-3-amine
CID 25165278
(5M)-5-(1H-tetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole
CID 170102160
(5P)-5-(1H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole
CID 170102175
5-[3-(2-methylpropyl)-1,2-oxazol-5-yl]-1H-indazol-3-amine
CID 25165277
(5P)-3-(3,5-dimethylphenyl)-5-(1H-tetrazol-5-yl)-2,1-benzoxazole
CID 169143898
(5P)-3-(4-phenoxyphenyl)-5-(1H-tetrazol-5-yl)-2,1-benzoxazole
CID 170102255
N-{(3P)-3-[(5P)-5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopropanecarboxamide
CID 170102295
(3P,5M)-3-[3-(1-cyclobutylpiperidin-4-yl)phenyl]-5-(1H-tetrazol-5-yl)-2,1-benzoxazole
CID 170102738
N-{4-[(5P)-5-(1H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopropanecarboxamide
CID 172432146
N-{(3P)-3-[(5P)-5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopentanecarboxamide
CID 172432147
5-(3,5-dimethylisoxazol-4-yl)-1H-indazol-3-amine
CID 44570388
3-(4-fluorophenyl)-5-(2H-tetrazol-5-yl)-2,1-benzoxazole
CID 169143775

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(2H-tetrazol-5-yl)-2,1-benzoxazole?
The IUPAC name of 3-phenyl-5-(2H-tetrazol-5-yl)-2,1-benzoxazole (CID 170101021) is 3-phenyl-5-(2H-tetrazol-5-yl)-2,1-benzoxazole.
What is the SMILES notation for 3-phenyl-5-(2H-tetrazol-5-yl)-2,1-benzoxazole?
The canonical SMILES for 3-phenyl-5-(2H-tetrazol-5-yl)-2,1-benzoxazole is c1ccc(-c2onc3ccc(-c4nn[nH]n4)cc23)cc1.
What is the InChIKey of 3-phenyl-5-(2H-tetrazol-5-yl)-2,1-benzoxazole?
The InChIKey is QREZWQBEFHLIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O/c1-2-4-9(5-3-1)13-11-8-10(14-15-18-19-16-14)6-7-12(11)17-20-13/h1-8H,(H,15,16,18,19).
What are the key properties of 3-phenyl-5-(2H-tetrazol-5-yl)-2,1-benzoxazole?
3-phenyl-5-(2H-tetrazol-5-yl)-2,1-benzoxazole has a molecular weight of 263.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(2H-tetrazol-5-yl)-2,1-benzoxazole is sourced from PubChem (CID 170101021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).