3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole

C15H21N5O4S — CID 91921513

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCc1noc(C)c1S(=O)(=O)N1CC(c2noc(C3CCCN3C)n2)C1
InChIInChI=1S/C15H21N5O4S/c1-9-13(10(2)23-17-9)25(21,22)20-7-11(8-20)14-16-15(24-18-14)12-5-4-6-19(12)3/h11-12H,4-8H2,1-3H3
InChIKeyXRCRZMOGKHVZNT-UHFFFAOYSA-N
MW367.43 g/mol
LogP1.23
Rot. Bonds4

About 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole (PubChem CID 91921513) has the molecular formula C15H21N5O4S and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
PubChem CID91921513
Molecular FormulaC15H21N5O4S
Molecular Weight367.43 g/mol
Exact Mass367.13
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCc1noc(C)c1S(=O)(=O)N1CC(c2noc(C3CCCN3C)n2)C1
InChIInChI=1S/C15H21N5O4S/c1-9-13(10(2)23-17-9)25(21,22)20-7-11(8-20)14-16-15(24-18-14)12-5-4-6-19(12)3/h11-12H,4-8H2,1-3H3
InChIKeyXRCRZMOGKHVZNT-UHFFFAOYSA-N
XLogP1.23
TPSA105.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861933
5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 56728123
(3aR,7aS)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138381014
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine
CID 65245066
4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 11926625
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120714917
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol
CID 5185428
4-[3-(chloromethyl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 63401014
3,5-dimethyl-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
CID 131909529
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 7030539
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3756181

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 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) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole is Cc1noc(C)c1S(=O)(=O)N1CC(c2noc(C3CCCN3C)n2)C1.
What is the InChIKey of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is XRCRZMOGKHVZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4S/c1-9-13(10(2)23-17-9)25(21,22)20-7-11(8-20)14-16-15(24-18-14)12-5-4-6-19(12)3/h11-12H,4-8H2,1-3H3.
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 367.43 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 91921513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).