[5-(1-phenyltetrazol-5-yl)sulfanyl-1,2-oxazol-3-yl]methanol

C11H9N5O2S — CID 11414680

IUPAC[5-(1-phenyltetrazol-5-yl)sulfanyl-1,2-oxazol-3-yl]methanol
SMILESOCc1cc(Sc2nnnn2-c2ccccc2)on1
InChIInChI=1S/C11H9N5O2S/c17-7-8-6-10(18-13-8)19-11-12-14-15-16(11)9-4-2-1-3-5-9/h1-6,17H,7H2
InChIKeySEFUXYDMPWSEDI-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.29
Rot. Bonds4

About [5-(1-phenyltetrazol-5-yl)sulfanyl-1,2-oxazol-3-yl]methanol

[5-(1-phenyltetrazol-5-yl)sulfanyl-1,2-oxazol-3-yl]methanol (PubChem CID 11414680) has the molecular formula C11H9N5O2S and a molecular weight of 275.29 g/mol. Its IUPAC name is [5-(1-phenyltetrazol-5-yl)sulfanyl-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(1-phenyltetrazol-5-yl)sulfanyl-1,2-oxazol-3-yl]methanol
PubChem CID11414680
Molecular FormulaC11H9N5O2S
Molecular Weight275.29 g/mol
Exact Mass275.05
IUPAC Name[5-(1-phenyltetrazol-5-yl)sulfanyl-1,2-oxazol-3-yl]methanol
SMILESOCc1cc(Sc2nnnn2-c2ccccc2)on1
InChIInChI=1S/C11H9N5O2S/c17-7-8-6-10(18-13-8)19-11-12-14-15-16(11)9-4-2-1-3-5-9/h1-6,17H,7H2
InChIKeySEFUXYDMPWSEDI-UHFFFAOYSA-N
XLogP1.29
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[3-bromo-5-(1-phenyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 102818673
1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 9110390
5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid
CID 61397490
[4-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol
CID 80693032
S-(1-phenyltetrazol-5-yl)thiohydroxylamine
CID 170760951
4-(1-phenyltetrazol-5-yl)sulfanylbut-2-yn-1-ol
CID 15944365
[4-chloro-2-(1-phenyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 63081126
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-phenyltetrazole
CID 9108489
[3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-yl]methanamine
CID 62685186
1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 17449592
3-chloro-4-(1-phenyltetrazol-5-yl)sulfanylaniline
CID 594148
1-(2,5-dimethylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 2649844

Frequently Asked Questions

What is the IUPAC name of [5-(1-phenyltetrazol-5-yl)sulfanyl-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-(1-phenyltetrazol-5-yl)sulfanyl-1,2-oxazol-3-yl]methanol (CID 11414680) is [5-(1-phenyltetrazol-5-yl)sulfanyl-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-(1-phenyltetrazol-5-yl)sulfanyl-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-(1-phenyltetrazol-5-yl)sulfanyl-1,2-oxazol-3-yl]methanol is OCc1cc(Sc2nnnn2-c2ccccc2)on1.
What is the InChIKey of [5-(1-phenyltetrazol-5-yl)sulfanyl-1,2-oxazol-3-yl]methanol?
The InChIKey is SEFUXYDMPWSEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2S/c17-7-8-6-10(18-13-8)19-11-12-14-15-16(11)9-4-2-1-3-5-9/h1-6,17H,7H2.
What are the key properties of [5-(1-phenyltetrazol-5-yl)sulfanyl-1,2-oxazol-3-yl]methanol?
[5-(1-phenyltetrazol-5-yl)sulfanyl-1,2-oxazol-3-yl]methanol has a molecular weight of 275.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-phenyltetrazol-5-yl)sulfanyl-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 11414680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).