3-[3-(6-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indol-8b-yl)propanoyl]-1,3-oxazolidin-2-one

C17H19FN2O4 — CID 66560557

IUPAC3-[3-(6-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indol-8b-yl)propanoyl]-1,3-oxazolidin-2-one
SMILESCN1c2cc(F)ccc2C2(CCC(=O)N3CCOC3=O)CCOC12
InChIInChI=1S/C17H19FN2O4/c1-19-13-10-11(18)2-3-12(13)17(6-8-23-15(17)19)5-4-14(21)20-7-9-24-16(20)22/h2-3,10,15H,4-9H2,1H3
InChIKeyKHJSGOZZTUVFDM-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.02
Rot. Bonds3

About 3-[3-(6-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indol-8b-yl)propanoyl]-1,3-oxazolidin-2-one

3-[3-(6-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indol-8b-yl)propanoyl]-1,3-oxazolidin-2-one (PubChem CID 66560557) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is 3-[3-(6-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indol-8b-yl)propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(6-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indol-8b-yl)propanoyl]-1,3-oxazolidin-2-one
PubChem CID66560557
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name3-[3-(6-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indol-8b-yl)propanoyl]-1,3-oxazolidin-2-one
SMILESCN1c2cc(F)ccc2C2(CCC(=O)N3CCOC3=O)CCOC12
InChIInChI=1S/C17H19FN2O4/c1-19-13-10-11(18)2-3-12(13)17(6-8-23-15(17)19)5-4-14(21)20-7-9-24-16(20)22/h2-3,10,15H,4-9H2,1H3
InChIKeyKHJSGOZZTUVFDM-UHFFFAOYSA-N
XLogP2.02
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indol-8b-yl)propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(6-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indol-8b-yl)propanoyl]-1,3-oxazolidin-2-one (CID 66560557) is 3-[3-(6-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indol-8b-yl)propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(6-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indol-8b-yl)propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(6-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indol-8b-yl)propanoyl]-1,3-oxazolidin-2-one is CN1c2cc(F)ccc2C2(CCC(=O)N3CCOC3=O)CCOC12.
What is the InChIKey of 3-[3-(6-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indol-8b-yl)propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is KHJSGOZZTUVFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c1-19-13-10-11(18)2-3-12(13)17(6-8-23-15(17)19)5-4-14(21)20-7-9-24-16(20)22/h2-3,10,15H,4-9H2,1H3.
What are the key properties of 3-[3-(6-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indol-8b-yl)propanoyl]-1,3-oxazolidin-2-one?
3-[3-(6-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indol-8b-yl)propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 334.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indol-8b-yl)propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66560557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).