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

C18H23N5O3S — CID 91921546

IUPAC5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-pyridin-3-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1cccnc1)N1CC(c2noc(C3CCCN3CC3CC3)n2)C1
InChIInChI=1S/C18H23N5O3S/c24-27(25,15-3-1-7-19-9-15)23-11-14(12-23)17-20-18(26-21-17)16-4-2-8-22(16)10-13-5-6-13/h1,3,7,9,13-14,16H,2,4-6,8,10-12H2
InChIKeyJHBMAELSMGFJOM-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.80
Rot. Bonds6

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

5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-pyridin-3-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazole (PubChem CID 91921546) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-pyridin-3-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-pyridin-3-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazole
PubChem CID91921546
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-pyridin-3-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1cccnc1)N1CC(c2noc(C3CCCN3CC3CC3)n2)C1
InChIInChI=1S/C18H23N5O3S/c24-27(25,15-3-1-7-19-9-15)23-11-14(12-23)17-20-18(26-21-17)16-4-2-8-22(16)10-13-5-6-13/h1,3,7,9,13-14,16H,2,4-6,8,10-12H2
InChIKeyJHBMAELSMGFJOM-UHFFFAOYSA-N
XLogP1.80
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-pyridin-3-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-pyridin-3-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazole (CID 91921546) is 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-pyridin-3-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-pyridin-3-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-pyridin-3-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazole is O=S(=O)(c1cccnc1)N1CC(c2noc(C3CCCN3CC3CC3)n2)C1.
What is the InChIKey of 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-pyridin-3-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is JHBMAELSMGFJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c24-27(25,15-3-1-7-19-9-15)23-11-14(12-23)17-20-18(26-21-17)16-4-2-8-22(16)10-13-5-6-13/h1,3,7,9,13-14,16H,2,4-6,8,10-12H2.
What are the key properties of 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-pyridin-3-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazole?
5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-pyridin-3-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 389.48 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-pyridin-3-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 91921546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).