4-[(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole

C14H14F2N2O3S — CID 39840882

IUPAC4-[(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCCc2c(F)cc(F)cc21
InChIInChI=1S/C14H14F2N2O3S/c1-8-14(9(2)21-17-8)22(19,20)18-5-3-4-11-12(16)6-10(15)7-13(11)18/h6-7H,3-5H2,1-2H3
InChIKeyUWFIDMBLYQQWJA-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.71
Rot. Bonds2

About 4-[(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole

4-[(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 39840882) has the molecular formula C14H14F2N2O3S and a molecular weight of 328.34 g/mol. Its IUPAC name is 4-[(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
PubChem CID39840882
Molecular FormulaC14H14F2N2O3S
Molecular Weight328.34 g/mol
Exact Mass328.07
IUPAC Name4-[(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCCc2c(F)cc(F)cc21
InChIInChI=1S/C14H14F2N2O3S/c1-8-14(9(2)21-17-8)22(19,20)18-5-3-4-11-12(16)6-10(15)7-13(11)18/h6-7H,3-5H2,1-2H3
InChIKeyUWFIDMBLYQQWJA-UHFFFAOYSA-N
XLogP2.71
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole (CID 39840882) is 4-[(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCCc2c(F)cc(F)cc21.
What is the InChIKey of 4-[(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is UWFIDMBLYQQWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O3S/c1-8-14(9(2)21-17-8)22(19,20)18-5-3-4-11-12(16)6-10(15)7-13(11)18/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-[(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole?
4-[(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 328.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 39840882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).