5-phenyl-3-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole

C16H13N5OS2 — CID 51244559

IUPAC5-phenyl-3-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
SMILESc1ccc(-c2cc(CSc3nnnn3Cc3cccs3)no2)cc1
InChIInChI=1S/C16H13N5OS2/c1-2-5-12(6-3-1)15-9-13(18-22-15)11-24-16-17-19-20-21(16)10-14-7-4-8-23-14/h1-9H,10-11H2
InChIKeyTUELQIMEJWWQJC-UHFFFAOYSA-N
MW355.45 g/mol
LogP3.73
Rot. Bonds6

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

5-phenyl-3-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole (PubChem CID 51244559) has the molecular formula C16H13N5OS2 and a molecular weight of 355.45 g/mol. Its IUPAC name is 5-phenyl-3-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-phenyl-3-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
PubChem CID51244559
Molecular FormulaC16H13N5OS2
Molecular Weight355.45 g/mol
Exact Mass355.06
IUPAC Name5-phenyl-3-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
SMILESc1ccc(-c2cc(CSc3nnnn3Cc3cccs3)no2)cc1
InChIInChI=1S/C16H13N5OS2/c1-2-5-12(6-3-1)15-9-13(18-22-15)11-24-16-17-19-20-21(16)10-14-7-4-8-23-14/h1-9H,10-11H2
InChIKeyTUELQIMEJWWQJC-UHFFFAOYSA-N
XLogP3.73
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole
CID 17451985
2-phenyl-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
CID 36987849
2-phenyl-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 37285381
2-phenyl-4-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 24574257
5-(furan-2-yl)-3-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
CID 24574301
5-[(2-methylphenyl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole
CID 47120849
3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole
CID 8577228
6-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 24522408
6-methyl-2-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 17402376
1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
CID 17407874
5-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole
CID 24519711
2-(2,5-dimethylfuran-3-yl)-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 9363094

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole?
The IUPAC name of 5-phenyl-3-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole (CID 51244559) is 5-phenyl-3-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole.
What is the SMILES notation for 5-phenyl-3-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole?
The canonical SMILES for 5-phenyl-3-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole is c1ccc(-c2cc(CSc3nnnn3Cc3cccs3)no2)cc1.
What is the InChIKey of 5-phenyl-3-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole?
The InChIKey is TUELQIMEJWWQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS2/c1-2-5-12(6-3-1)15-9-13(18-22-15)11-24-16-17-19-20-21(16)10-14-7-4-8-23-14/h1-9H,10-11H2.
What are the key properties of 5-phenyl-3-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole?
5-phenyl-3-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole has a molecular weight of 355.45 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole is sourced from PubChem (CID 51244559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).