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

C20H16N2O4S — CID 135971504

IUPAC4-[5-(naphthalen-2-ylmethylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESO=S(=O)(Cc1ccc2ccccc2c1)Cc1nnc(-c2ccc(O)cc2)o1
InChIInChI=1S/C20H16N2O4S/c23-18-9-7-16(8-10-18)20-22-21-19(26-20)13-27(24,25)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-11,23H,12-13H2
InChIKeyRNPUYXSGZIGBMM-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.71
Rot. Bonds5

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

4-[5-(naphthalen-2-ylmethylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 135971504) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-[5-(naphthalen-2-ylmethylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(naphthalen-2-ylmethylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID135971504
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Name4-[5-(naphthalen-2-ylmethylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESO=S(=O)(Cc1ccc2ccccc2c1)Cc1nnc(-c2ccc(O)cc2)o1
InChIInChI=1S/C20H16N2O4S/c23-18-9-7-16(8-10-18)20-22-21-19(26-20)13-27(24,25)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-11,23H,12-13H2
InChIKeyRNPUYXSGZIGBMM-UHFFFAOYSA-N
XLogP3.71
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(naphthalen-2-ylmethylsulfinylmethyl)-1,3,4-oxadiazol-2-yl]phenol
CID 142831227
N,N-dimethyl-3-[4-[5-(naphthalen-2-ylmethylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]phenoxy]propan-1-amine
CID 21108916
2-[(4-methylphenyl)methyl]-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 142315891
naphthalen-2-ylmethylsulfonylmethyl 4-hydroxybenzoate
CID 139616983
2-[4-(bromomethyl)phenyl]-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 141345170
2-[[4-(difluoromethyl)phenyl]methylsulfonylmethyl]-5-(3-methoxynaphthalen-2-yl)-1,3,4-oxadiazole
CID 167983192
2-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62071982
2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 42632398
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
2-methyl-3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfonyl]propan-1-ol
CID 111469888
(7-hydroxynaphthalen-2-yl)methanesulfonic acid
CID 175033542

Frequently Asked Questions

What is the IUPAC name of 4-[5-(naphthalen-2-ylmethylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 4-[5-(naphthalen-2-ylmethylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]phenol (CID 135971504) is 4-[5-(naphthalen-2-ylmethylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 4-[5-(naphthalen-2-ylmethylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 4-[5-(naphthalen-2-ylmethylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]phenol is O=S(=O)(Cc1ccc2ccccc2c1)Cc1nnc(-c2ccc(O)cc2)o1.
What is the InChIKey of 4-[5-(naphthalen-2-ylmethylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is RNPUYXSGZIGBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c23-18-9-7-16(8-10-18)20-22-21-19(26-20)13-27(24,25)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-ylmethylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]phenol?
4-[5-(naphthalen-2-ylmethylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 380.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(naphthalen-2-ylmethylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 135971504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).