5-(2,5-dichlorophenyl)sulfonyl-2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

C16H16Cl2N2O4S — CID 170511692

IUPAC5-(2,5-dichlorophenyl)sulfonyl-2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCc2oc(C3CCOC3)nc2C1
InChIInChI=1S/C16H16Cl2N2O4S/c17-11-1-2-12(18)15(7-11)25(21,22)20-5-3-14-13(8-20)19-16(24-14)10-4-6-23-9-10/h1-2,7,10H,3-6,8-9H2
InChIKeyYAFOIBOLNMLPAY-UHFFFAOYSA-N
MW403.29 g/mol
LogP3.23
Rot. Bonds3

About 5-(2,5-dichlorophenyl)sulfonyl-2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

5-(2,5-dichlorophenyl)sulfonyl-2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 170511692) has the molecular formula C16H16Cl2N2O4S and a molecular weight of 403.29 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)sulfonyl-2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)sulfonyl-2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
PubChem CID170511692
Molecular FormulaC16H16Cl2N2O4S
Molecular Weight403.29 g/mol
Exact Mass402.02
IUPAC Name5-(2,5-dichlorophenyl)sulfonyl-2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCc2oc(C3CCOC3)nc2C1
InChIInChI=1S/C16H16Cl2N2O4S/c17-11-1-2-12(18)15(7-11)25(21,22)20-5-3-14-13(8-20)19-16(24-14)10-4-6-23-9-10/h1-2,7,10H,3-6,8-9H2
InChIKeyYAFOIBOLNMLPAY-UHFFFAOYSA-N
XLogP3.23
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-5-[[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrimidine-2,4-dione
CID 169416723
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
5-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 169411774
2-tert-butyl-5-(5-chloro-2-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 169420041
7-(2,5-dichlorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 69267948
2-cyclobutyl-5-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 169411650
5-(2,5-dichlorophenyl)sulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 53145322
1,3-dimethyl-6-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyrimidine-2,4-dione
CID 169414514
(3-methyl-1-benzofuran-2-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169411722
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
(3-fluoro-2-methoxyphenyl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169416934
1-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 169421737

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)sulfonyl-2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-(2,5-dichlorophenyl)sulfonyl-2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (CID 170511692) is 5-(2,5-dichlorophenyl)sulfonyl-2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(2,5-dichlorophenyl)sulfonyl-2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-(2,5-dichlorophenyl)sulfonyl-2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is O=S(=O)(c1cc(Cl)ccc1Cl)N1CCc2oc(C3CCOC3)nc2C1.
What is the InChIKey of 5-(2,5-dichlorophenyl)sulfonyl-2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is YAFOIBOLNMLPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O4S/c17-11-1-2-12(18)15(7-11)25(21,22)20-5-3-14-13(8-20)19-16(24-14)10-4-6-23-9-10/h1-2,7,10H,3-6,8-9H2.
What are the key properties of 5-(2,5-dichlorophenyl)sulfonyl-2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
5-(2,5-dichlorophenyl)sulfonyl-2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 403.29 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenyl)sulfonyl-2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 170511692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).