4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol

C16H14N2O2S — CID 83191804

IUPAC4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol
SMILESOC1CSCC1c1nc(-c2ccc3ccccc3c2)no1
InChIInChI=1S/C16H14N2O2S/c19-14-9-21-8-13(14)16-17-15(18-20-16)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-14,19H,8-9H2
InChIKeyWMNCVJGDLFASNS-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.08
Rot. Bonds2

About 4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol

4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol (PubChem CID 83191804) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol.

Molecular Properties

Compound Name4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol
PubChem CID83191804
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol
SMILESOC1CSCC1c1nc(-c2ccc3ccccc3c2)no1
InChIInChI=1S/C16H14N2O2S/c19-14-9-21-8-13(14)16-17-15(18-20-16)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-14,19H,8-9H2
InChIKeyWMNCVJGDLFASNS-UHFFFAOYSA-N
XLogP3.08
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201685
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201040
4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83200794
4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201298
4-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 106850005
5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-2-yl-1,2,4-oxadiazole
CID 14810882
3-naphthalen-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900526
4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83200622
4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201224
4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201543
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
CID 83201148
4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201694

Frequently Asked Questions

What is the IUPAC name of 4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol?
The IUPAC name of 4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol (CID 83191804) is 4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol.
What is the SMILES notation for 4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol?
The canonical SMILES for 4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol is OC1CSCC1c1nc(-c2ccc3ccccc3c2)no1.
What is the InChIKey of 4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol?
The InChIKey is WMNCVJGDLFASNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-14-9-21-8-13(14)16-17-15(18-20-16)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-14,19H,8-9H2.
What are the key properties of 4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol?
4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol has a molecular weight of 298.37 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol is sourced from PubChem (CID 83191804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).