(6S)-6-tert-butyl-1-fluoro-11-(1,3-oxazol-5-yl)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid

C23H19FN2O5 — CID 146470768

IUPAC(6S)-6-tert-butyl-1-fluoro-11-(1,3-oxazol-5-yl)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid
SMILESCC(C)(C)[C@@H]1Cc2c(oc3c(-c4cnco4)cccc23)-c2c(F)c(=O)c(C(=O)O)cn21
InChIInChI=1S/C23H19FN2O5/c1-23(2,3)16-7-13-11-5-4-6-12(15-8-25-10-30-15)20(11)31-21(13)18-17(24)19(27)14(22(28)29)9-26(16)18/h4-6,8-10,16H,7H2,1-3H3,(H,28,29)/t16-/m0/s1
InChIKeyBUFWTYDZLDNHPM-INIZCTEOSA-N
MW422.41 g/mol
LogP4.90
Rot. Bonds2

About (6S)-6-tert-butyl-1-fluoro-11-(1,3-oxazol-5-yl)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid

(6S)-6-tert-butyl-1-fluoro-11-(1,3-oxazol-5-yl)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid (PubChem CID 146470768) has the molecular formula C23H19FN2O5 and a molecular weight of 422.41 g/mol. Its IUPAC name is (6S)-6-tert-butyl-1-fluoro-11-(1,3-oxazol-5-yl)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name(6S)-6-tert-butyl-1-fluoro-11-(1,3-oxazol-5-yl)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid
PubChem CID146470768
Molecular FormulaC23H19FN2O5
Molecular Weight422.41 g/mol
Exact Mass422.13
IUPAC Name(6S)-6-tert-butyl-1-fluoro-11-(1,3-oxazol-5-yl)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid
SMILESCC(C)(C)[C@@H]1Cc2c(oc3c(-c4cnco4)cccc23)-c2c(F)c(=O)c(C(=O)O)cn21
InChIInChI=1S/C23H19FN2O5/c1-23(2,3)16-7-13-11-5-4-6-12(15-8-25-10-30-15)20(11)31-21(13)18-17(24)19(27)14(22(28)29)9-26(16)18/h4-6,8-10,16H,7H2,1-3H3,(H,28,29)/t16-/m0/s1
InChIKeyBUFWTYDZLDNHPM-INIZCTEOSA-N
XLogP4.90
TPSA98.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6S)-6-tert-butyl-1-fluoro-11-(1,3-oxazol-5-yl)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid with MolForge

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Related Compounds

6-tert-butyl-1-fluoro-11-(1-methylpyrazol-3-yl)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid
CID 146470787
(6S)-6-tert-butyl-11-(2-methylpyrazol-3-yl)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid
CID 146470650
6-tert-butyl-2-oxo-11-(1H-pyrazol-4-yl)-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid
CID 146470772
(6S)-6-tert-butyl-11-fluoro-13-methyl-10-oxo-2,3,5,6-tetrahydro-[1,4]benzodioxino[7,8-a]quinolizine-9-carboxylic acid
CID 153411346
6-tert-butyl-11-cyclopropyloxy-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid
CID 146470627
6-tert-butyl-11-(oxetan-3-yloxy)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid
CID 146470651
(5S)-5-tert-butyl-12-cyclobutyl-10-fluoro-9-oxo-2,3,4,5-tetrahydro-[1]benzofuro[5,4-a]quinolizine-8-carboxylic acid
CID 139336149
8-tert-butyl-3-fluoro-13-(3-methoxypropoxy)-4-oxo-7,10,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,5,11,13,15-hexaene-5-carboxylic acid
CID 135366080
6-tert-butyl-9-(3-methoxypropoxy)-10-(1,3-oxazol-5-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 139328667
6-tert-butyl-10-(difluoromethoxy)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid
CID 146448510
(5S)-5-tert-butyl-12-(1-methylpyrrol-3-yl)-9-oxo-4,5-dihydro-[1]benzofuro[5,4-a]quinolizine-8-carboxylic acid
CID 155472006
(6R)-6-tert-butyl-10-chloro-1-fluoro-9-(3-methoxypropoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 134223959

Frequently Asked Questions

What is the IUPAC name of (6S)-6-tert-butyl-1-fluoro-11-(1,3-oxazol-5-yl)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid?
The IUPAC name of (6S)-6-tert-butyl-1-fluoro-11-(1,3-oxazol-5-yl)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid (CID 146470768) is (6S)-6-tert-butyl-1-fluoro-11-(1,3-oxazol-5-yl)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid.
What is the SMILES notation for (6S)-6-tert-butyl-1-fluoro-11-(1,3-oxazol-5-yl)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid?
The canonical SMILES for (6S)-6-tert-butyl-1-fluoro-11-(1,3-oxazol-5-yl)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid is CC(C)(C)[C@@H]1Cc2c(oc3c(-c4cnco4)cccc23)-c2c(F)c(=O)c(C(=O)O)cn21.
What is the InChIKey of (6S)-6-tert-butyl-1-fluoro-11-(1,3-oxazol-5-yl)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid?
The InChIKey is BUFWTYDZLDNHPM-INIZCTEOSA-N. The full InChI is InChI=1S/C23H19FN2O5/c1-23(2,3)16-7-13-11-5-4-6-12(15-8-25-10-30-15)20(11)31-21(13)18-17(24)19(27)14(22(28)29)9-26(16)18/h4-6,8-10,16H,7H2,1-3H3,(H,28,29)/t16-/m0/s1.
What are the key properties of (6S)-6-tert-butyl-1-fluoro-11-(1,3-oxazol-5-yl)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid?
(6S)-6-tert-butyl-1-fluoro-11-(1,3-oxazol-5-yl)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid has a molecular weight of 422.41 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-tert-butyl-1-fluoro-11-(1,3-oxazol-5-yl)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 146470768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).