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

C14H10N6OS — CID 38847355

IUPAC3-[(5-phenyltetrazol-2-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2nnn(Cc3noc(-c4ccsc4)n3)n2)cc1
InChIInChI=1S/C14H10N6OS/c1-2-4-10(5-3-1)13-16-19-20(17-13)8-12-15-14(21-18-12)11-6-7-22-9-11/h1-7,9H,8H2
InChIKeyQUBAAYWZRJBXMH-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.50
Rot. Bonds4

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

3-[(5-phenyltetrazol-2-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 38847355) has the molecular formula C14H10N6OS and a molecular weight of 310.34 g/mol. Its IUPAC name is 3-[(5-phenyltetrazol-2-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(5-phenyltetrazol-2-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID38847355
Molecular FormulaC14H10N6OS
Molecular Weight310.34 g/mol
Exact Mass310.06
IUPAC Name3-[(5-phenyltetrazol-2-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2nnn(Cc3noc(-c4ccsc4)n3)n2)cc1
InChIInChI=1S/C14H10N6OS/c1-2-4-10(5-3-1)13-16-19-20(17-13)8-12-15-14(21-18-12)11-6-7-22-9-11/h1-7,9H,8H2
InChIKeyQUBAAYWZRJBXMH-UHFFFAOYSA-N
XLogP2.50
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-phenyltetrazol-2-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(5-phenyltetrazol-2-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole (CID 38847355) is 3-[(5-phenyltetrazol-2-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(5-phenyltetrazol-2-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(5-phenyltetrazol-2-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole is c1ccc(-c2nnn(Cc3noc(-c4ccsc4)n3)n2)cc1.
What is the InChIKey of 3-[(5-phenyltetrazol-2-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is QUBAAYWZRJBXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6OS/c1-2-4-10(5-3-1)13-16-19-20(17-13)8-12-15-14(21-18-12)11-6-7-22-9-11/h1-7,9H,8H2.
What are the key properties of 3-[(5-phenyltetrazol-2-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
3-[(5-phenyltetrazol-2-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 310.34 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 3-[(5-phenyltetrazol-2-yl)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 38847355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).