2-[[9-(furan-2-yl)-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-b]quinolin-2-yl]sulfanyl]acetate

C16H13N2O4S- — CID 7378875

IUPAC2-[[9-(furan-2-yl)-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-b]quinolin-2-yl]sulfanyl]acetate
SMILESO=C([O-])CSc1nc2c(-c3ccco3)c3c(nc2o1)CCCC3
InChIInChI=1S/C16H14N2O4S/c19-12(20)8-23-16-18-14-13(11-6-3-7-21-11)9-4-1-2-5-10(9)17-15(14)22-16/h3,6-7H,1-2,4-5,8H2,(H,19,20)/p-1
InChIKeyGEBYUWQCWFEQOP-UHFFFAOYSA-M
MW329.36 g/mol
LogP2.20
Rot. Bonds4

About 2-[[9-(furan-2-yl)-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-b]quinolin-2-yl]sulfanyl]acetate

2-[[9-(furan-2-yl)-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-b]quinolin-2-yl]sulfanyl]acetate (PubChem CID 7378875) has the molecular formula C16H13N2O4S- and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[[9-(furan-2-yl)-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-b]quinolin-2-yl]sulfanyl]acetate.

Molecular Properties

Compound Name2-[[9-(furan-2-yl)-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-b]quinolin-2-yl]sulfanyl]acetate
PubChem CID7378875
Molecular FormulaC16H13N2O4S-
Molecular Weight329.36 g/mol
Exact Mass329.06
IUPAC Name2-[[9-(furan-2-yl)-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-b]quinolin-2-yl]sulfanyl]acetate
SMILESO=C([O-])CSc1nc2c(-c3ccco3)c3c(nc2o1)CCCC3
InChIInChI=1S/C16H14N2O4S/c19-12(20)8-23-16-18-14-13(11-6-3-7-21-11)9-4-1-2-5-10(9)17-15(14)22-16/h3,6-7H,1-2,4-5,8H2,(H,19,20)/p-1
InChIKeyGEBYUWQCWFEQOP-UHFFFAOYSA-M
XLogP2.20
TPSA92.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[9-(furan-2-yl)-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-b]quinolin-2-yl]sulfanyl]acetate with MolForge

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Related Compounds

4-anilino-5-(furan-2-yl)-6,7,8,9-tetrahydro-[1,3]oxazino[6,5-b]quinolin-2-one
CID 10546374
2-amino-4-(furan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 754321
2-[[2-(furan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl]sulfanyl]acetic acid
CID 94673371
2-chloro-4-(furan-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 82089655
2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 1042857
4-anilino-5-(furan-2-yl)-6,7,8,9-tetrahydro-[1,3]oxazino[6,5-b]quinoline-2-thione
CID 10523512
2-(furan-2-yl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975234
butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 4521595
2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate;piperidin-1-ium
CID 159677899
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 5053666
N-(cyclohexen-1-yl)-N-cyclopropyl-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 8522909
2-[4-[[2-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide
CID 90338497

Frequently Asked Questions

What is the IUPAC name of 2-[[9-(furan-2-yl)-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-b]quinolin-2-yl]sulfanyl]acetate?
The IUPAC name of 2-[[9-(furan-2-yl)-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-b]quinolin-2-yl]sulfanyl]acetate (CID 7378875) is 2-[[9-(furan-2-yl)-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-b]quinolin-2-yl]sulfanyl]acetate.
What is the SMILES notation for 2-[[9-(furan-2-yl)-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-b]quinolin-2-yl]sulfanyl]acetate?
The canonical SMILES for 2-[[9-(furan-2-yl)-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-b]quinolin-2-yl]sulfanyl]acetate is O=C([O-])CSc1nc2c(-c3ccco3)c3c(nc2o1)CCCC3.
What is the InChIKey of 2-[[9-(furan-2-yl)-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-b]quinolin-2-yl]sulfanyl]acetate?
The InChIKey is GEBYUWQCWFEQOP-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H14N2O4S/c19-12(20)8-23-16-18-14-13(11-6-3-7-21-11)9-4-1-2-5-10(9)17-15(14)22-16/h3,6-7H,1-2,4-5,8H2,(H,19,20)/p-1.
What are the key properties of 2-[[9-(furan-2-yl)-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-b]quinolin-2-yl]sulfanyl]acetate?
2-[[9-(furan-2-yl)-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-b]quinolin-2-yl]sulfanyl]acetate has a molecular weight of 329.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[9-(furan-2-yl)-5,6,7,8-tetrahydro-[1,3]oxazolo[5,4-b]quinolin-2-yl]sulfanyl]acetate is sourced from PubChem (CID 7378875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).