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

C16H11BrN6OS — CID 2621181

IUPAC2-(2-bromophenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESBrc1ccccc1-c1nnc(CSc2nnnn2-c2ccccc2)o1
InChIInChI=1S/C16H11BrN6OS/c17-13-9-5-4-8-12(13)15-19-18-14(24-15)10-25-16-20-21-22-23(16)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyFZTYZXJTCPYTRO-UHFFFAOYSA-N
MW415.28 g/mol
LogP3.77
Rot. Bonds5

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

2-(2-bromophenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 2621181) has the molecular formula C16H11BrN6OS and a molecular weight of 415.28 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID2621181
Molecular FormulaC16H11BrN6OS
Molecular Weight415.28 g/mol
Exact Mass413.99
IUPAC Name2-(2-bromophenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESBrc1ccccc1-c1nnc(CSc2nnnn2-c2ccccc2)o1
InChIInChI=1S/C16H11BrN6OS/c17-13-9-5-4-8-12(13)15-19-18-14(24-15)10-25-16-20-21-22-23(16)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyFZTYZXJTCPYTRO-UHFFFAOYSA-N
XLogP3.77
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-bromophenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole (CID 2621181) is 2-(2-bromophenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-bromophenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-bromophenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole is Brc1ccccc1-c1nnc(CSc2nnnn2-c2ccccc2)o1.
What is the InChIKey of 2-(2-bromophenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is FZTYZXJTCPYTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN6OS/c17-13-9-5-4-8-12(13)15-19-18-14(24-15)10-25-16-20-21-22-23(16)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 2-(2-bromophenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole?
2-(2-bromophenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 415.28 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2621181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).