5-(furan-2-yl)-3-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole

C15H13N5O2S2 — CID 24574301

IUPAC5-(furan-2-yl)-3-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
SMILESc1coc(-c2cc(CSc3nnnn3CCc3cccs3)no2)c1
InChIInChI=1S/C15H13N5O2S2/c1-4-13(21-7-1)14-9-11(17-22-14)10-24-15-16-18-19-20(15)6-5-12-3-2-8-23-12/h1-4,7-9H,5-6,10H2
InChIKeyHCDDYMSUWZTKQS-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.52
Rot. Bonds7

About 5-(furan-2-yl)-3-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole

5-(furan-2-yl)-3-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole (PubChem CID 24574301) has the molecular formula C15H13N5O2S2 and a molecular weight of 359.44 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
PubChem CID24574301
Molecular FormulaC15H13N5O2S2
Molecular Weight359.44 g/mol
Exact Mass359.05
IUPAC Name5-(furan-2-yl)-3-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
SMILESc1coc(-c2cc(CSc3nnnn3CCc3cccs3)no2)c1
InChIInChI=1S/C15H13N5O2S2/c1-4-13(21-7-1)14-9-11(17-22-14)10-24-15-16-18-19-20(15)6-5-12-3-2-8-23-12/h1-4,7-9H,5-6,10H2
InChIKeyHCDDYMSUWZTKQS-UHFFFAOYSA-N
XLogP3.52
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole?
The IUPAC name of 5-(furan-2-yl)-3-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole (CID 24574301) is 5-(furan-2-yl)-3-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole.
What is the SMILES notation for 5-(furan-2-yl)-3-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole?
The canonical SMILES for 5-(furan-2-yl)-3-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole is c1coc(-c2cc(CSc3nnnn3CCc3cccs3)no2)c1.
What is the InChIKey of 5-(furan-2-yl)-3-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole?
The InChIKey is HCDDYMSUWZTKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S2/c1-4-13(21-7-1)14-9-11(17-22-14)10-24-15-16-18-19-20(15)6-5-12-3-2-8-23-12/h1-4,7-9H,5-6,10H2.
What are the key properties of 5-(furan-2-yl)-3-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole?
5-(furan-2-yl)-3-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole has a molecular weight of 359.44 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole is sourced from PubChem (CID 24574301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).