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

C20H16N2O3S — CID 142831227

IUPAC4-[5-(naphthalen-2-ylmethylsulfinylmethyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESO=S(Cc1ccc2ccccc2c1)Cc1nnc(-c2ccc(O)cc2)o1
InChIInChI=1S/C20H16N2O3S/c23-18-9-7-16(8-10-18)20-22-21-19(25-20)13-26(24)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-11,23H,12-13H2
InChIKeyOKVVRUWGHCKZBR-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.04
Rot. Bonds5

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

4-[5-(naphthalen-2-ylmethylsulfinylmethyl)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 142831227) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-[5-(naphthalen-2-ylmethylsulfinylmethyl)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(naphthalen-2-ylmethylsulfinylmethyl)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID142831227
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name4-[5-(naphthalen-2-ylmethylsulfinylmethyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESO=S(Cc1ccc2ccccc2c1)Cc1nnc(-c2ccc(O)cc2)o1
InChIInChI=1S/C20H16N2O3S/c23-18-9-7-16(8-10-18)20-22-21-19(25-20)13-26(24)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-11,23H,12-13H2
InChIKeyOKVVRUWGHCKZBR-UHFFFAOYSA-N
XLogP4.04
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(naphthalen-2-ylmethylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]phenol
CID 135971504
2-(naphthalen-2-ylmethylsulfinylmethyl)naphthalene
CID 14148730
2-[(4-methylphenyl)methyl]-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 142315891
(5-phenyl-1,3,4-oxadiazol-2-yl)methanesulfinic acid
CID 174726453
2-[4-(bromomethyl)phenyl]-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 141345170
2-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62071982
2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide
CID 3386877
N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16854678
4-[5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenol
CID 135923343
4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]phenol
CID 61032229
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl naphthalene-2-carboxylate
CID 7980561
N,N-dimethyl-3-[4-[5-(naphthalen-2-ylmethylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]phenoxy]propan-1-amine
CID 21108916

Frequently Asked Questions

What is the IUPAC name of 4-[5-(naphthalen-2-ylmethylsulfinylmethyl)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 4-[5-(naphthalen-2-ylmethylsulfinylmethyl)-1,3,4-oxadiazol-2-yl]phenol (CID 142831227) is 4-[5-(naphthalen-2-ylmethylsulfinylmethyl)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 4-[5-(naphthalen-2-ylmethylsulfinylmethyl)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 4-[5-(naphthalen-2-ylmethylsulfinylmethyl)-1,3,4-oxadiazol-2-yl]phenol is O=S(Cc1ccc2ccccc2c1)Cc1nnc(-c2ccc(O)cc2)o1.
What is the InChIKey of 4-[5-(naphthalen-2-ylmethylsulfinylmethyl)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is OKVVRUWGHCKZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c23-18-9-7-16(8-10-18)20-22-21-19(25-20)13-26(24)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-11,23H,12-13H2.
What are the key properties of 4-[5-(naphthalen-2-ylmethylsulfinylmethyl)-1,3,4-oxadiazol-2-yl]phenol?
4-[5-(naphthalen-2-ylmethylsulfinylmethyl)-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 364.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(naphthalen-2-ylmethylsulfinylmethyl)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 142831227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).