4-[5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenol

C18H15N5O2S — CID 24666683

IUPAC4-[5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenol
SMILESCc1ccc(-c2nc(CSc3nnnn3-c3ccc(O)cc3)co2)cc1
InChIInChI=1S/C18H15N5O2S/c1-12-2-4-13(5-3-12)17-19-14(10-25-17)11-26-18-20-21-22-23(18)15-6-8-16(24)9-7-15/h2-10,24H,11H2,1H3
InChIKeyHAAZFLBZURQOJD-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.62
Rot. Bonds5

About 4-[5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenol

4-[5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenol (PubChem CID 24666683) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 4-[5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenol
PubChem CID24666683
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC Name4-[5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenol
SMILESCc1ccc(-c2nc(CSc3nnnn3-c3ccc(O)cc3)co2)cc1
InChIInChI=1S/C18H15N5O2S/c1-12-2-4-13(5-3-12)17-19-14(10-25-17)11-26-18-20-21-22-23(18)15-6-8-16(24)9-7-15/h2-10,24H,11H2,1H3
InChIKeyHAAZFLBZURQOJD-UHFFFAOYSA-N
XLogP3.62
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole
CID 24666094
2-(4-fluorophenyl)-4-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
CID 24667836
2-(3-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
CID 33278936
4-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]tetrazol-1-yl]phenol
CID 51891923
4-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole
CID 8804352
4-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole
CID 24668922
4-[5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenol
CID 7474236
4-[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]phenol
CID 51141746
4-[5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]tetrazol-1-yl]phenol
CID 51202933
2-(4-methylphenyl)-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole
CID 32787581
4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol
CID 106933316
5-(2-bromoprop-2-enylsulfanyl)-1-(4-methylphenyl)tetrazole
CID 52727680

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenol (CID 24666683) is 4-[5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenol is Cc1ccc(-c2nc(CSc3nnnn3-c3ccc(O)cc3)co2)cc1.
What is the InChIKey of 4-[5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenol?
The InChIKey is HAAZFLBZURQOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-12-2-4-13(5-3-12)17-19-14(10-25-17)11-26-18-20-21-22-23(18)15-6-8-16(24)9-7-15/h2-10,24H,11H2,1H3.
What are the key properties of 4-[5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenol?
4-[5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenol has a molecular weight of 365.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenol is sourced from PubChem (CID 24666683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).