4-[5-(4-methylphenyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenol

C15H12N2O2S — CID 172676237

IUPAC4-[5-(4-methylphenyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenol
SMILESCc1ccc(Sc2nnc(-c3ccc(O)cc3)o2)cc1
InChIInChI=1S/C15H12N2O2S/c1-10-2-8-13(9-3-10)20-15-17-16-14(19-15)11-4-6-12(18)7-5-11/h2-9,18H,1H3
InChIKeyHRYXUJHREFWVLN-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.90
Rot. Bonds3

About 4-[5-(4-methylphenyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenol

4-[5-(4-methylphenyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 172676237) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-[5-(4-methylphenyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-methylphenyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenol
PubChem CID172676237
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name4-[5-(4-methylphenyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenol
SMILESCc1ccc(Sc2nnc(-c3ccc(O)cc3)o2)cc1
InChIInChI=1S/C15H12N2O2S/c1-10-2-8-13(9-3-10)20-15-17-16-14(19-15)11-4-6-12(18)7-5-11/h2-9,18H,1H3
InChIKeyHRYXUJHREFWVLN-UHFFFAOYSA-N
XLogP3.90
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenol
CID 135985215
2-ethylsulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 35766151
N'-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-4-methylbenzohydrazide
CID 3177868
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanol
CID 110879334
3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 6952022
4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 135860745
3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanal
CID 4520484
N,N-diethyl-3-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4279921
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 78762908
2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole
CID 12995331
2-(3-methylquinoxalin-2-yl)sulfanyl-5-phenyl-1,3,4-oxadiazole
CID 3798588
2-[(4-bromophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 1309344

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methylphenyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 4-[5-(4-methylphenyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenol (CID 172676237) is 4-[5-(4-methylphenyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 4-[5-(4-methylphenyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 4-[5-(4-methylphenyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenol is Cc1ccc(Sc2nnc(-c3ccc(O)cc3)o2)cc1.
What is the InChIKey of 4-[5-(4-methylphenyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is HRYXUJHREFWVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-10-2-8-13(9-3-10)20-15-17-16-14(19-15)11-4-6-12(18)7-5-11/h2-9,18H,1H3.
What are the key properties of 4-[5-(4-methylphenyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenol?
4-[5-(4-methylphenyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 284.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylphenyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 172676237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).