2-propan-2-ylsulfanyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole

C9H15N3OS — CID 4888633

IUPAC2-propan-2-ylsulfanyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
SMILESCC(C)Sc1nnc(C2CCCN2)o1
InChIInChI=1S/C9H15N3OS/c1-6(2)14-9-12-11-8(13-9)7-4-3-5-10-7/h6-7,10H,3-5H2,1-2H3
InChIKeyNDDOKYAAYRRSTP-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.99
Rot. Bonds3

About 2-propan-2-ylsulfanyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole

2-propan-2-ylsulfanyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole (PubChem CID 4888633) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-propan-2-ylsulfanyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-propan-2-ylsulfanyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
PubChem CID4888633
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-propan-2-ylsulfanyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
SMILESCC(C)Sc1nnc(C2CCCN2)o1
InChIInChI=1S/C9H15N3OS/c1-6(2)14-9-12-11-8(13-9)7-4-3-5-10-7/h6-7,10H,3-5H2,1-2H3
InChIKeyNDDOKYAAYRRSTP-UHFFFAOYSA-N
XLogP1.99
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[[5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 6356344
2-benzylsulfanyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 3571196
2-cyclononyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 123914649
2-(methoxymethyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 66509664
2-[(4-bromophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole;hydrochloride
CID 16957787
2-[(4-bromophenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole;hydrochloride
CID 22694256
2-[(2,5-dimethylphenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole chloride
CID 53351366
2-[(4-chlorophenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole;hydron;chloride
CID 665565
2-methylsulfanyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 102703433
2-tert-butyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole
CID 96864783
2-[(3-fluorophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 3722561
2-[(2-chlorophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole;hydrochloride
CID 16957802

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-propan-2-ylsulfanyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole (CID 4888633) is 2-propan-2-ylsulfanyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-propan-2-ylsulfanyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-propan-2-ylsulfanyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole is CC(C)Sc1nnc(C2CCCN2)o1.
What is the InChIKey of 2-propan-2-ylsulfanyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
The InChIKey is NDDOKYAAYRRSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6(2)14-9-12-11-8(13-9)7-4-3-5-10-7/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-ylsulfanyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
2-propan-2-ylsulfanyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole has a molecular weight of 213.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 4888633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).