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

C17H13N5O2 — CID 18165684

IUPAC2-phenyl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole
SMILESc1ccc(-c2nc(COc3ccc(-n4cnnn4)cc3)co2)cc1
InChIInChI=1S/C17H13N5O2/c1-2-4-13(5-3-1)17-19-14(11-24-17)10-23-16-8-6-15(7-9-16)22-12-18-20-21-22/h1-9,11-12H,10H2
InChIKeyAIRZMUORMXKRBI-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.90
Rot. Bonds5

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

2-phenyl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole (PubChem CID 18165684) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-phenyl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-phenyl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole
PubChem CID18165684
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name2-phenyl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole
SMILESc1ccc(-c2nc(COc3ccc(-n4cnnn4)cc3)co2)cc1
InChIInChI=1S/C17H13N5O2/c1-2-4-13(5-3-1)17-19-14(11-24-17)10-23-16-8-6-15(7-9-16)22-12-18-20-21-22/h1-9,11-12H,10H2
InChIKeyAIRZMUORMXKRBI-UHFFFAOYSA-N
XLogP2.90
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine
CID 16764721
2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole
CID 112787746
4-[(4-nitrophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 18171386
4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 112787327
4-[(4-cyclobutylphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 166351524
4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazol-2-yl]piperidin-2-one
CID 154151182
5-(furan-2-yl)-3-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,2-oxazole
CID 26676390
4-[(2-fluorophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767820
4-[(2-ethoxyphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767319
4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 38879165
[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine
CID 106485084
2-(2-methoxyphenyl)-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
CID 55356626

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole?
The IUPAC name of 2-phenyl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole (CID 18165684) is 2-phenyl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole.
What is the SMILES notation for 2-phenyl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole?
The canonical SMILES for 2-phenyl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole is c1ccc(-c2nc(COc3ccc(-n4cnnn4)cc3)co2)cc1.
What is the InChIKey of 2-phenyl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole?
The InChIKey is AIRZMUORMXKRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c1-2-4-13(5-3-1)17-19-14(11-24-17)10-23-16-8-6-15(7-9-16)22-12-18-20-21-22/h1-9,11-12H,10H2.
What are the key properties of 2-phenyl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole?
2-phenyl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole has a molecular weight of 319.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole is sourced from PubChem (CID 18165684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).