3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole

C15H23N5OS — CID 127939310

IUPAC3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(C2CCCN2c2nc(C(C)(C)C)ns2)no1
InChIInChI=1S/C15H23N5OS/c1-9(2)12-16-11(18-21-12)10-7-6-8-20(10)14-17-13(19-22-14)15(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyDKJCBGRDGAWLKJ-UHFFFAOYSA-N
MW321.45 g/mol
LogP3.68
Rot. Bonds3

About 3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole

3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 127939310) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is 3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID127939310
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(C2CCCN2c2nc(C(C)(C)C)ns2)no1
InChIInChI=1S/C15H23N5OS/c1-9(2)12-16-11(18-21-12)10-7-6-8-20(10)14-17-13(19-22-14)15(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyDKJCBGRDGAWLKJ-UHFFFAOYSA-N
XLogP3.68
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(bromomethyl)piperidin-1-yl]-3-tert-butyl-1,2,4-thiadiazole
CID 80676484
2-propan-2-yl-5-[[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95769217
methyl 6-methyl-2-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyrimidine-4-carboxylate
CID 100671268
5-(azetidin-1-yl)-3-tert-butyl-1,2,4-thiadiazole
CID 130611538
1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115079949
1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanol
CID 112627776
3-[[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 133493712
3-[1-(1-methylcyclopropyl)sulfonylazepan-2-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 139013419
2-methyl-N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 107305948
3-piperidin-4-yl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119767317
3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 120899647
2-benzyl-5-[[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 86879145

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole (CID 127939310) is 3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole is CC(C)c1nc(C2CCCN2c2nc(C(C)(C)C)ns2)no1.
What is the InChIKey of 3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is DKJCBGRDGAWLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-9(2)12-16-11(18-21-12)10-7-6-8-20(10)14-17-13(19-22-14)15(3,4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole?
3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 321.45 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 127939310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).