4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole

C20H19N5OS — CID 24666094

IUPAC4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2nc(CSc3nnnn3-c3c(C)cccc3C)co2)cc1
InChIInChI=1S/C20H19N5OS/c1-13-7-9-16(10-8-13)19-21-17(11-26-19)12-27-20-22-23-24-25(20)18-14(2)5-4-6-15(18)3/h4-11H,12H2,1-3H3
InChIKeyHECIWXVEDJKUNU-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.53
Rot. Bonds5

About 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole

4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole (PubChem CID 24666094) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole
PubChem CID24666094
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2nc(CSc3nnnn3-c3c(C)cccc3C)co2)cc1
InChIInChI=1S/C20H19N5OS/c1-13-7-9-16(10-8-13)19-21-17(11-26-19)12-27-20-22-23-24-25(20)18-14(2)5-4-6-15(18)3/h4-11H,12H2,1-3H3
InChIKeyHECIWXVEDJKUNU-UHFFFAOYSA-N
XLogP4.53
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole (CID 24666094) is 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole is Cc1ccc(-c2nc(CSc3nnnn3-c3c(C)cccc3C)co2)cc1.
What is the InChIKey of 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole?
The InChIKey is HECIWXVEDJKUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-13-7-9-16(10-8-13)19-21-17(11-26-19)12-27-20-22-23-24-25(20)18-14(2)5-4-6-15(18)3/h4-11H,12H2,1-3H3.
What are the key properties of 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole?
4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole has a molecular weight of 377.47 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 24666094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).