4-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]phenol

C13H16N4O2S — CID 103136869

IUPAC4-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]phenol
SMILESCC1CCC(CSc2nnnn2-c2ccc(O)cc2)O1
InChIInChI=1S/C13H16N4O2S/c1-9-2-7-12(19-9)8-20-13-14-15-16-17(13)10-3-5-11(18)6-4-10/h3-6,9,12,18H,2,7-8H2,1H3
InChIKeyOVJFCQKTVPJNDJ-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.03
Rot. Bonds4

About 4-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]phenol

4-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]phenol (PubChem CID 103136869) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]phenol
PubChem CID103136869
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name4-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]phenol
SMILESCC1CCC(CSc2nnnn2-c2ccc(O)cc2)O1
InChIInChI=1S/C13H16N4O2S/c1-9-2-7-12(19-9)8-20-13-14-15-16-17(13)10-3-5-11(18)6-4-10/h3-6,9,12,18H,2,7-8H2,1H3
InChIKeyOVJFCQKTVPJNDJ-UHFFFAOYSA-N
XLogP2.03
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
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4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol
CID 106933316
4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol
CID 54937608
4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol
CID 60801602
N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 103140436
4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol
CID 115872263
5-[[(2R)-oxan-2-yl]methylsulfanyl]-1-phenyltetrazole
CID 8003667
4-[5-[(1-methylpyrazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol
CID 60652367
2-methyl-N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine
CID 103140437
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 25337755
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 7474216
5-(1,3-dioxan-4-ylmethylsulfanyl)-1-phenyltetrazole
CID 75412675

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]phenol (CID 103136869) is 4-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]phenol is CC1CCC(CSc2nnnn2-c2ccc(O)cc2)O1.
What is the InChIKey of 4-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]phenol?
The InChIKey is OVJFCQKTVPJNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-9-2-7-12(19-9)8-20-13-14-15-16-17(13)10-3-5-11(18)6-4-10/h3-6,9,12,18H,2,7-8H2,1H3.
What are the key properties of 4-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]phenol?
4-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]phenol has a molecular weight of 292.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]phenol is sourced from PubChem (CID 103136869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).