5-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

C13H14N6OS — CID 24523336

IUPAC5-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCCn1nnnc1SCc1nc(-c2ccccc2C)no1
InChIInChI=1S/C13H14N6OS/c1-3-19-13(15-17-18-19)21-8-11-14-12(16-20-11)10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3
InChIKeyIOMZEMRKCNANTQ-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.34
Rot. Bonds5

About 5-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

5-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 24523336) has the molecular formula C13H14N6OS and a molecular weight of 302.36 g/mol. Its IUPAC name is 5-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID24523336
Molecular FormulaC13H14N6OS
Molecular Weight302.36 g/mol
Exact Mass302.09
IUPAC Name5-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCCn1nnnc1SCc1nc(-c2ccccc2C)no1
InChIInChI=1S/C13H14N6OS/c1-3-19-13(15-17-18-19)21-8-11-14-12(16-20-11)10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3
InChIKeyIOMZEMRKCNANTQ-UHFFFAOYSA-N
XLogP2.34
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (CID 24523336) is 5-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is CCn1nnnc1SCc1nc(-c2ccccc2C)no1.
What is the InChIKey of 5-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is IOMZEMRKCNANTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6OS/c1-3-19-13(15-17-18-19)21-8-11-14-12(16-20-11)10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3.
What are the key properties of 5-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
5-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 302.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 24523336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).