2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylsulfanyl]-4,5-diphenyl-1,3-oxazole

C24H19N5O3S2 — CID 60558247

IUPAC2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylsulfanyl]-4,5-diphenyl-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(-n2nnnc2CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1
InChIInChI=1S/C24H19N5O3S2/c1-34(30,31)20-14-12-19(13-15-20)29-21(26-27-28-29)16-33-24-25-22(17-8-4-2-5-9-17)23(32-24)18-10-6-3-7-11-18/h2-15H,16H2,1H3
InChIKeySDRBAAZQTFGMSA-UHFFFAOYSA-N
MW489.58 g/mol
LogP4.68
Rot. Bonds7

About 2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylsulfanyl]-4,5-diphenyl-1,3-oxazole

2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylsulfanyl]-4,5-diphenyl-1,3-oxazole (PubChem CID 60558247) has the molecular formula C24H19N5O3S2 and a molecular weight of 489.58 g/mol. Its IUPAC name is 2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylsulfanyl]-4,5-diphenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylsulfanyl]-4,5-diphenyl-1,3-oxazole
PubChem CID60558247
Molecular FormulaC24H19N5O3S2
Molecular Weight489.58 g/mol
Exact Mass489.09
IUPAC Name2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylsulfanyl]-4,5-diphenyl-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(-n2nnnc2CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1
InChIInChI=1S/C24H19N5O3S2/c1-34(30,31)20-14-12-19(13-15-20)29-21(26-27-28-29)16-33-24-25-22(17-8-4-2-5-9-17)23(32-24)18-10-6-3-7-11-18/h2-15H,16H2,1H3
InChIKeySDRBAAZQTFGMSA-UHFFFAOYSA-N
XLogP4.68
TPSA103.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-methyl-2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylsulfanyl]quinazolin-4-one
CID 55988523
2-[[4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-4,5-diphenyl-1,3-oxazole
CID 4108977
5-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 167855332
2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazole
CID 10041271
N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]naphthalen-1-amine
CID 47068669
2-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]sulfanylacetic acid
CID 29070462
4-(4-methylsulfonylphenyl)-5-phenyl-2-(2-phenylethyl)-1,3-oxazole
CID 18701525
3-(3,5-dimethylpyrazol-1-yl)-5-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylsulfanyl]-1,2,4-triazol-4-amine
CID 55989713
5-chloro-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3-benzoxazole
CID 51208985
4,5-diphenyl-2-(pyridin-4-ylmethylsulfanyl)-1,3-oxazole
CID 27162221
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl chloride
CID 54148093
[4-[5-[(4-methylsulfonylphenyl)methyl]tetrazol-1-yl]phenyl]methanol
CID 155534969

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylsulfanyl]-4,5-diphenyl-1,3-oxazole?
The IUPAC name of 2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylsulfanyl]-4,5-diphenyl-1,3-oxazole (CID 60558247) is 2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylsulfanyl]-4,5-diphenyl-1,3-oxazole.
What is the SMILES notation for 2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylsulfanyl]-4,5-diphenyl-1,3-oxazole?
The canonical SMILES for 2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylsulfanyl]-4,5-diphenyl-1,3-oxazole is CS(=O)(=O)c1ccc(-n2nnnc2CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylsulfanyl]-4,5-diphenyl-1,3-oxazole?
The InChIKey is SDRBAAZQTFGMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3S2/c1-34(30,31)20-14-12-19(13-15-20)29-21(26-27-28-29)16-33-24-25-22(17-8-4-2-5-9-17)23(32-24)18-10-6-3-7-11-18/h2-15H,16H2,1H3.
What are the key properties of 2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylsulfanyl]-4,5-diphenyl-1,3-oxazole?
2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylsulfanyl]-4,5-diphenyl-1,3-oxazole has a molecular weight of 489.58 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylsulfanyl]-4,5-diphenyl-1,3-oxazole is sourced from PubChem (CID 60558247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).