3-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one

C16H12N2O3S — CID 4313904

IUPAC3-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one
SMILESO=C1OCCC1Sc1nnc(-c2cccc3ccccc23)o1
InChIInChI=1S/C16H12N2O3S/c19-15-13(8-9-20-15)22-16-18-17-14(21-16)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13H,8-9H2
InChIKeyWJWZKAXZLMJXAO-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.30
Rot. Bonds3

About 3-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one

3-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one (PubChem CID 4313904) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is 3-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one.

Molecular Properties

Compound Name3-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one
PubChem CID4313904
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC Name3-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one
SMILESO=C1OCCC1Sc1nnc(-c2cccc3ccccc23)o1
InChIInChI=1S/C16H12N2O3S/c19-15-13(8-9-20-15)22-16-18-17-14(21-16)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13H,8-9H2
InChIKeyWJWZKAXZLMJXAO-UHFFFAOYSA-N
XLogP3.30
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one with MolForge

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Related Compounds

(3S)-3-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
CID 135840762
(3S)-3-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
CID 975525
3-(1,3-benzoxazol-2-ylsulfanyl)oxolan-2-one
CID 2948558
(3R)-3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
CID 95228208
(3R)-3-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]oxolan-2-one
CID 1289611
3-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
CID 166434927
2-methyl-1-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
CID 111459478
(3R)-3-(2-methylquinazolin-4-yl)sulfanyloxolan-2-one
CID 7145391
(3R)-3-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one
CID 2464161
N-[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]methanesulfonamide
CID 91643320
3-[2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]chromen-2-one
CID 4668510
3-(2,6-dichlorophenyl)sulfanyloxolan-2-one
CID 51072328

Frequently Asked Questions

What is the IUPAC name of 3-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one?
The IUPAC name of 3-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one (CID 4313904) is 3-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one.
What is the SMILES notation for 3-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one?
The canonical SMILES for 3-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one is O=C1OCCC1Sc1nnc(-c2cccc3ccccc23)o1.
What is the InChIKey of 3-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one?
The InChIKey is WJWZKAXZLMJXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S/c19-15-13(8-9-20-15)22-16-18-17-14(21-16)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13H,8-9H2.
What are the key properties of 3-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one?
3-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one has a molecular weight of 312.35 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one is sourced from PubChem (CID 4313904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).