3-[1-[(3,3-difluorocyclopentyl)methylsulfonyl]azetidin-3-yl]-5-methyl-1,2-oxazole

C13H18F2N2O3S — CID 167894629

IUPAC3-[1-[(3,3-difluorocyclopentyl)methylsulfonyl]azetidin-3-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(C2CN(S(=O)(=O)CC3CCC(F)(F)C3)C2)no1
InChIInChI=1S/C13H18F2N2O3S/c1-9-4-12(16-20-9)11-6-17(7-11)21(18,19)8-10-2-3-13(14,15)5-10/h4,10-11H,2-3,5-8H2,1H3
InChIKeyRUSFTBJCZOAQQT-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.15
Rot. Bonds4

About 3-[1-[(3,3-difluorocyclopentyl)methylsulfonyl]azetidin-3-yl]-5-methyl-1,2-oxazole

3-[1-[(3,3-difluorocyclopentyl)methylsulfonyl]azetidin-3-yl]-5-methyl-1,2-oxazole (PubChem CID 167894629) has the molecular formula C13H18F2N2O3S and a molecular weight of 320.36 g/mol. Its IUPAC name is 3-[1-[(3,3-difluorocyclopentyl)methylsulfonyl]azetidin-3-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[1-[(3,3-difluorocyclopentyl)methylsulfonyl]azetidin-3-yl]-5-methyl-1,2-oxazole
PubChem CID167894629
Molecular FormulaC13H18F2N2O3S
Molecular Weight320.36 g/mol
Exact Mass320.10
IUPAC Name3-[1-[(3,3-difluorocyclopentyl)methylsulfonyl]azetidin-3-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(C2CN(S(=O)(=O)CC3CCC(F)(F)C3)C2)no1
InChIInChI=1S/C13H18F2N2O3S/c1-9-4-12(16-20-9)11-6-17(7-11)21(18,19)8-10-2-3-13(14,15)5-10/h4,10-11H,2-3,5-8H2,1H3
InChIKeyRUSFTBJCZOAQQT-UHFFFAOYSA-N
XLogP2.15
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3,3-difluorocyclopentyl)methylsulfonyl]azetidin-3-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[1-[(3,3-difluorocyclopentyl)methylsulfonyl]azetidin-3-yl]-5-methyl-1,2-oxazole (CID 167894629) is 3-[1-[(3,3-difluorocyclopentyl)methylsulfonyl]azetidin-3-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[1-[(3,3-difluorocyclopentyl)methylsulfonyl]azetidin-3-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[1-[(3,3-difluorocyclopentyl)methylsulfonyl]azetidin-3-yl]-5-methyl-1,2-oxazole is Cc1cc(C2CN(S(=O)(=O)CC3CCC(F)(F)C3)C2)no1.
What is the InChIKey of 3-[1-[(3,3-difluorocyclopentyl)methylsulfonyl]azetidin-3-yl]-5-methyl-1,2-oxazole?
The InChIKey is RUSFTBJCZOAQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S/c1-9-4-12(16-20-9)11-6-17(7-11)21(18,19)8-10-2-3-13(14,15)5-10/h4,10-11H,2-3,5-8H2,1H3.
What are the key properties of 3-[1-[(3,3-difluorocyclopentyl)methylsulfonyl]azetidin-3-yl]-5-methyl-1,2-oxazole?
3-[1-[(3,3-difluorocyclopentyl)methylsulfonyl]azetidin-3-yl]-5-methyl-1,2-oxazole has a molecular weight of 320.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3,3-difluorocyclopentyl)methylsulfonyl]azetidin-3-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 167894629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).