2-[4-(1-phenyltetrazol-5-yl)oxyphenyl]-1,3,4-oxadiazole

C15H10N6O2 — CID 2526141

IUPAC2-[4-(1-phenyltetrazol-5-yl)oxyphenyl]-1,3,4-oxadiazole
SMILESc1ccc(-n2nnnc2Oc2ccc(-c3nnco3)cc2)cc1
InChIInChI=1S/C15H10N6O2/c1-2-4-12(5-3-1)21-15(18-19-20-21)23-13-8-6-11(7-9-13)14-17-16-10-22-14/h1-10H
InChIKeyVLHXRYVJTGASCS-UHFFFAOYSA-N
MW306.29 g/mol
LogP2.50
Rot. Bonds4

About 2-[4-(1-phenyltetrazol-5-yl)oxyphenyl]-1,3,4-oxadiazole

2-[4-(1-phenyltetrazol-5-yl)oxyphenyl]-1,3,4-oxadiazole (PubChem CID 2526141) has the molecular formula C15H10N6O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is 2-[4-(1-phenyltetrazol-5-yl)oxyphenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(1-phenyltetrazol-5-yl)oxyphenyl]-1,3,4-oxadiazole
PubChem CID2526141
Molecular FormulaC15H10N6O2
Molecular Weight306.29 g/mol
Exact Mass306.09
IUPAC Name2-[4-(1-phenyltetrazol-5-yl)oxyphenyl]-1,3,4-oxadiazole
SMILESc1ccc(-n2nnnc2Oc2ccc(-c3nnco3)cc2)cc1
InChIInChI=1S/C15H10N6O2/c1-2-4-12(5-3-1)21-15(18-19-20-21)23-13-8-6-11(7-9-13)14-17-16-10-22-14/h1-10H
InChIKeyVLHXRYVJTGASCS-UHFFFAOYSA-N
XLogP2.50
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-phenyl-5-(4-phenylphenoxy)tetrazole
CID 2477634
5-(6-bromonaphthalen-2-yl)oxy-1-phenyltetrazole
CID 8565211
2-(2-phenoxyphenyl)-1,3,4-oxadiazole
CID 20632510
5-(4-bromo-3,5-dimethylphenoxy)-1-phenyltetrazole
CID 107724421
2-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride
CID 52991851
2-(1-phenyltetrazol-5-yl)oxyaniline
CID 1079791
3-bromo-5-(1-phenyltetrazol-5-yl)oxyaniline
CID 103589118
methyl 2-phenyl-5-(1-phenyltetrazol-5-yl)oxybenzoate
CID 22296984
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 38928933
3-methoxy-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine;hydrochloride
CID 132902394
5-(3-nitrophenoxy)-1-phenyltetrazole
CID 2833287
1-phenyl-5-phenylmethoxytetrazole
CID 5082830

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-phenyltetrazol-5-yl)oxyphenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(1-phenyltetrazol-5-yl)oxyphenyl]-1,3,4-oxadiazole (CID 2526141) is 2-[4-(1-phenyltetrazol-5-yl)oxyphenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(1-phenyltetrazol-5-yl)oxyphenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(1-phenyltetrazol-5-yl)oxyphenyl]-1,3,4-oxadiazole is c1ccc(-n2nnnc2Oc2ccc(-c3nnco3)cc2)cc1.
What is the InChIKey of 2-[4-(1-phenyltetrazol-5-yl)oxyphenyl]-1,3,4-oxadiazole?
The InChIKey is VLHXRYVJTGASCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6O2/c1-2-4-12(5-3-1)21-15(18-19-20-21)23-13-8-6-11(7-9-13)14-17-16-10-22-14/h1-10H.
What are the key properties of 2-[4-(1-phenyltetrazol-5-yl)oxyphenyl]-1,3,4-oxadiazole?
2-[4-(1-phenyltetrazol-5-yl)oxyphenyl]-1,3,4-oxadiazole has a molecular weight of 306.29 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-phenyltetrazol-5-yl)oxyphenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2526141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).