2-phenyl-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole

C16H13N5OS2 — CID 36987849

IUPAC2-phenyl-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
SMILESc1ccc(-c2nc(CSc3nnnn3Cc3cccs3)co2)cc1
InChIInChI=1S/C16H13N5OS2/c1-2-5-12(6-3-1)15-17-13(10-22-15)11-24-16-18-19-20-21(16)9-14-7-4-8-23-14/h1-8,10H,9,11H2
InChIKeyBGXIQSNDISNUOL-UHFFFAOYSA-N
MW355.45 g/mol
LogP3.73
Rot. Bonds6

About 2-phenyl-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole

2-phenyl-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole (PubChem CID 36987849) has the molecular formula C16H13N5OS2 and a molecular weight of 355.45 g/mol. Its IUPAC name is 2-phenyl-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-phenyl-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
PubChem CID36987849
Molecular FormulaC16H13N5OS2
Molecular Weight355.45 g/mol
Exact Mass355.06
IUPAC Name2-phenyl-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
SMILESc1ccc(-c2nc(CSc3nnnn3Cc3cccs3)co2)cc1
InChIInChI=1S/C16H13N5OS2/c1-2-5-12(6-3-1)15-17-13(10-22-15)11-24-16-18-19-20-21(16)9-14-7-4-8-23-14/h1-8,10H,9,11H2
InChIKeyBGXIQSNDISNUOL-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

2-phenyl-5-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 37285381
5-phenyl-3-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
CID 51244559
2-phenyl-4-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 24574257
5-[(2-methylphenyl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole
CID 47120849
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
4-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole
CID 24668922
5-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole
CID 24519711
N-[4-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide
CID 36987490
4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole
CID 7625422
2-(2,4-dimethylphenyl)-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
CID 24675499
4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole
CID 24666094

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole?
The IUPAC name of 2-phenyl-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole (CID 36987849) is 2-phenyl-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole.
What is the SMILES notation for 2-phenyl-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole?
The canonical SMILES for 2-phenyl-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole is c1ccc(-c2nc(CSc3nnnn3Cc3cccs3)co2)cc1.
What is the InChIKey of 2-phenyl-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole?
The InChIKey is BGXIQSNDISNUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS2/c1-2-5-12(6-3-1)15-17-13(10-22-15)11-24-16-18-19-20-21(16)9-14-7-4-8-23-14/h1-8,10H,9,11H2.
What are the key properties of 2-phenyl-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole?
2-phenyl-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-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 2-phenyl-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole is sourced from PubChem (CID 36987849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).