2-(oxolan-2-ylmethylsulfanyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole

C11H13N3O2S — CID 135579827

IUPAC2-(oxolan-2-ylmethylsulfanyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole
SMILESc1c[nH]c(-c2nnc(SCC3CCCO3)o2)c1
InChIInChI=1S/C11H13N3O2S/c1-4-9(12-5-1)10-13-14-11(16-10)17-7-8-3-2-6-15-8/h1,4-5,8,12H,2-3,6-7H2
InChIKeyGOHPPNSDIJHZLN-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.34
Rot. Bonds4

About 2-(oxolan-2-ylmethylsulfanyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole

2-(oxolan-2-ylmethylsulfanyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole (PubChem CID 135579827) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylsulfanyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylsulfanyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole
PubChem CID135579827
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-(oxolan-2-ylmethylsulfanyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole
SMILESc1c[nH]c(-c2nnc(SCC3CCCO3)o2)c1
InChIInChI=1S/C11H13N3O2S/c1-4-9(12-5-1)10-13-14-11(16-10)17-7-8-3-2-6-15-8/h1,4-5,8,12H,2-3,6-7H2
InChIKeyGOHPPNSDIJHZLN-UHFFFAOYSA-N
XLogP2.34
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 95300425
2-(3,5-dimethoxyphenyl)-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 8602753
2-(3-nitrophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 1467914
2-[[(2S)-oxolan-2-yl]methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 7987095
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 5053666
methyl 4-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate
CID 135550309
2-(oxolan-2-ylmethylsulfanyl)-4,5-diphenyl-1,3-oxazole
CID 43834769
2-[[(2S)-oxan-2-yl]methylsulfanyl]-5-(2-thiophen-2-ylquinolin-4-yl)-1,3,4-oxadiazole
CID 8001678
(2S)-N-cyclopropyl-2-phenyl-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 135928343
2-[(2-methoxyphenyl)methyl]-5-[[(2S)-oxan-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 95168548
5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole
CID 130639077
2-(furan-2-yl)-5-(oxiran-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 134066521

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylsulfanyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(oxolan-2-ylmethylsulfanyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole (CID 135579827) is 2-(oxolan-2-ylmethylsulfanyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(oxolan-2-ylmethylsulfanyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(oxolan-2-ylmethylsulfanyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole is c1c[nH]c(-c2nnc(SCC3CCCO3)o2)c1.
What is the InChIKey of 2-(oxolan-2-ylmethylsulfanyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole?
The InChIKey is GOHPPNSDIJHZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-4-9(12-5-1)10-13-14-11(16-10)17-7-8-3-2-6-15-8/h1,4-5,8,12H,2-3,6-7H2.
What are the key properties of 2-(oxolan-2-ylmethylsulfanyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole?
2-(oxolan-2-ylmethylsulfanyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole has a molecular weight of 251.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylsulfanyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 135579827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).