2-cyclobutyl-5-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

C18H20N2O4S — CID 169411650

IUPAC2-cyclobutyl-5-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESO=S(=O)(c1ccc2c(c1)CCO2)N1CCc2oc(C3CCC3)nc2C1
InChIInChI=1S/C18H20N2O4S/c21-25(22,14-4-5-16-13(10-14)7-9-23-16)20-8-6-17-15(11-20)19-18(24-17)12-2-1-3-12/h4-5,10,12H,1-3,6-9,11H2
InChIKeyYGZBNWHUPCORFA-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.62
Rot. Bonds3

About 2-cyclobutyl-5-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

2-cyclobutyl-5-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 169411650) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-cyclobutyl-5-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-cyclobutyl-5-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
PubChem CID169411650
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-cyclobutyl-5-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESO=S(=O)(c1ccc2c(c1)CCO2)N1CCc2oc(C3CCC3)nc2C1
InChIInChI=1S/C18H20N2O4S/c21-25(22,14-4-5-16-13(10-14)7-9-23-16)20-8-6-17-15(11-20)19-18(24-17)12-2-1-3-12/h4-5,10,12H,1-3,6-9,11H2
InChIKeyYGZBNWHUPCORFA-UHFFFAOYSA-N
XLogP2.62
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclobutyl-5-[4-(dimethylsulfamoylamino)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 169410713
1,4-bis(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,4-diazepane
CID 55511916
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-phenylazepane
CID 121146254
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine
CID 43556396
2-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline
CID 110705617
2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-1,3-thiazole
CID 126775746
3-methyl-5-[[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]sulfonyl]-1,3-benzoxazol-2-one
CID 169410850
11-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene
CID 119102657
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol
CID 106672599
(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol
CID 66291738
[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51294863
5-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 169411774

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 2-cyclobutyl-5-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (CID 169411650) is 2-cyclobutyl-5-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 2-cyclobutyl-5-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 2-cyclobutyl-5-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is O=S(=O)(c1ccc2c(c1)CCO2)N1CCc2oc(C3CCC3)nc2C1.
What is the InChIKey of 2-cyclobutyl-5-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is YGZBNWHUPCORFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-25(22,14-4-5-16-13(10-14)7-9-23-16)20-8-6-17-15(11-20)19-18(24-17)12-2-1-3-12/h4-5,10,12H,1-3,6-9,11H2.
What are the key properties of 2-cyclobutyl-5-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
2-cyclobutyl-5-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 360.44 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 169411650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).