4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-thiophen-2-yl-1,3-oxazole

C16H13N5OS — CID 8685179

IUPAC4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESCc1ccccc1-c1nnn(Cc2coc(-c3cccs3)n2)n1
InChIInChI=1S/C16H13N5OS/c1-11-5-2-3-6-13(11)15-18-20-21(19-15)9-12-10-22-16(17-12)14-7-4-8-23-14/h2-8,10H,9H2,1H3
InChIKeyGODALLHLUNXNLW-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.41
Rot. Bonds4

About 4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-thiophen-2-yl-1,3-oxazole

4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-thiophen-2-yl-1,3-oxazole (PubChem CID 8685179) has the molecular formula C16H13N5OS and a molecular weight of 323.38 g/mol. Its IUPAC name is 4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
PubChem CID8685179
Molecular FormulaC16H13N5OS
Molecular Weight323.38 g/mol
Exact Mass323.08
IUPAC Name4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESCc1ccccc1-c1nnn(Cc2coc(-c3cccs3)n2)n1
InChIInChI=1S/C16H13N5OS/c1-11-5-2-3-6-13(11)15-18-20-21(19-15)9-12-10-22-16(17-12)14-7-4-8-23-14/h2-8,10H,9H2,1H3
InChIKeyGODALLHLUNXNLW-UHFFFAOYSA-N
XLogP3.41
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-thiophen-2-yl-1,3-oxazole (CID 8685179) is 4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-thiophen-2-yl-1,3-oxazole is Cc1ccccc1-c1nnn(Cc2coc(-c3cccs3)n2)n1.
What is the InChIKey of 4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is GODALLHLUNXNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS/c1-11-5-2-3-6-13(11)15-18-20-21(19-15)9-12-10-22-16(17-12)14-7-4-8-23-14/h2-8,10H,9H2,1H3.
What are the key properties of 4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 323.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 8685179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).