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

C15H18N2O2S — CID 649051

IUPAC4-[5-(cyclohexylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESOc1ccc(-c2nnc(SCC3CCCCC3)o2)cc1
InChIInChI=1S/C15H18N2O2S/c18-13-8-6-12(7-9-13)14-16-17-15(19-14)20-10-11-4-2-1-3-5-11/h6-9,11,18H,1-5,10H2
InChIKeyLRDNGSXVYASVJI-UHFFFAOYSA-N
MW290.39 g/mol
LogP4.11
Rot. Bonds4

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

4-[5-(cyclohexylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 649051) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-[5-(cyclohexylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(cyclohexylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID649051
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-[5-(cyclohexylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESOc1ccc(-c2nnc(SCC3CCCCC3)o2)cc1
InChIInChI=1S/C15H18N2O2S/c18-13-8-6-12(7-9-13)14-16-17-15(19-14)20-10-11-4-2-1-3-5-11/h6-9,11,18H,1-5,10H2
InChIKeyLRDNGSXVYASVJI-UHFFFAOYSA-N
XLogP4.11
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-Benzylsulfanyl-[1,3,4]oxadiazol-2-yl)-phenol
CID 855989
3-{[5-(4-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(morpholin-4-yl)propan-1-one
CID 1942959
3-[[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile
CID 1280861
3-{[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanoic acid
CID 6472748
2,6-Di-tert-butyl-4-(5-methylsulfanyl-[1,3,4]oxadiazol-2-yl)-phenol
CID 135786531
4-[5-(4-Iodophenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 135971468
4-(1,3,4-Oxadiazol-2-yl)phenol
CID 714770
2-[5-(3,5-Dimethyl-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-(4-methoxy-phenyl)-ethanone
CID 648707
2-(Ethylthio)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 651410
[5-(4-Methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid p-tolyl ester
CID 1128407
2-(4-Methoxyphenyl)-5-(prop-2-yn-1-ylsulfanyl)-1,3,4-oxadiazole
CID 1588141
2-(4-Methoxyphenyl)-5-(2-methylpropylthio)-1,3,4-oxadiazole
CID 2398606

Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclohexylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 4-[5-(cyclohexylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]phenol (CID 649051) is 4-[5-(cyclohexylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 4-[5-(cyclohexylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 4-[5-(cyclohexylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]phenol is Oc1ccc(-c2nnc(SCC3CCCCC3)o2)cc1.
What is the InChIKey of 4-[5-(cyclohexylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is LRDNGSXVYASVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c18-13-8-6-12(7-9-13)14-16-17-15(19-14)20-10-11-4-2-1-3-5-11/h6-9,11,18H,1-5,10H2.
What are the key properties of 4-[5-(cyclohexylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]phenol?
4-[5-(cyclohexylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 290.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(cyclohexylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 649051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).