5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-propylsulfonylazetidin-3-yl)-1,2,4-oxadiazole

C16H26N4O3S — CID 91921544

IUPAC5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-propylsulfonylazetidin-3-yl)-1,2,4-oxadiazole
SMILESCCCS(=O)(=O)N1CC(c2noc(C3CCCN3CC3CC3)n2)C1
InChIInChI=1S/C16H26N4O3S/c1-2-8-24(21,22)20-10-13(11-20)15-17-16(23-18-15)14-4-3-7-19(14)9-12-5-6-12/h12-14H,2-11H2,1H3
InChIKeyMCIGNCVCRZIEQB-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.76
Rot. Bonds7

About 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-propylsulfonylazetidin-3-yl)-1,2,4-oxadiazole

5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-propylsulfonylazetidin-3-yl)-1,2,4-oxadiazole (PubChem CID 91921544) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-propylsulfonylazetidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-propylsulfonylazetidin-3-yl)-1,2,4-oxadiazole
PubChem CID91921544
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-propylsulfonylazetidin-3-yl)-1,2,4-oxadiazole
SMILESCCCS(=O)(=O)N1CC(c2noc(C3CCCN3CC3CC3)n2)C1
InChIInChI=1S/C16H26N4O3S/c1-2-8-24(21,22)20-10-13(11-20)15-17-16(23-18-15)14-4-3-7-19(14)9-12-5-6-12/h12-14H,2-11H2,1H3
InChIKeyMCIGNCVCRZIEQB-UHFFFAOYSA-N
XLogP1.76
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[5-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-methylpropan-1-one
CID 164635213
5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-pyridin-3-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazole
CID 91921546
1-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 91921534
cyclohex-3-en-1-yl-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone
CID 91921584
3-(4-methoxyphenyl)-5-[(3R)-1-propylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 1456310
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 91921513
1-[2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 91921579
5-(1-ethylpyrrolidin-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 115077870
3-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methylpropane-1-sulfonamide
CID 97062378
3-(1-propylsulfonylpyrrolidin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 91905580
3-cyclopropyl-5-[(2S)-1-ethylsulfonyl-4,4-difluoropyrrolidin-2-yl]-1,2,4-oxadiazole
CID 110203142
5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115078020

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-propylsulfonylazetidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-propylsulfonylazetidin-3-yl)-1,2,4-oxadiazole (CID 91921544) is 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-propylsulfonylazetidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-propylsulfonylazetidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-propylsulfonylazetidin-3-yl)-1,2,4-oxadiazole is CCCS(=O)(=O)N1CC(c2noc(C3CCCN3CC3CC3)n2)C1.
What is the InChIKey of 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-propylsulfonylazetidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is MCIGNCVCRZIEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-2-8-24(21,22)20-10-13(11-20)15-17-16(23-18-15)14-4-3-7-19(14)9-12-5-6-12/h12-14H,2-11H2,1H3.
What are the key properties of 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-propylsulfonylazetidin-3-yl)-1,2,4-oxadiazole?
5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-propylsulfonylazetidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 354.48 g/mol, XLogP of 1.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-propylsulfonylazetidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 91921544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).