methyl 3-[(1S)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoate

C23H21FN2O5 — CID 58305358

IUPACmethyl 3-[(1S)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoate
SMILESCOC(=O)c1cc(N2CCOC2=O)cc(N2C(=O)[C@]3(CC3(C)C)c3cc(F)ccc32)c1
InChIInChI=1S/C23H21FN2O5/c1-22(2)12-23(22)17-10-14(24)4-5-18(17)26(20(23)28)16-9-13(19(27)30-3)8-15(11-16)25-6-7-31-21(25)29/h4-5,8-11H,6-7,12H2,1-3H3/t23-/m0/s1
InChIKeyXEHNUTZXPKONTN-QHCPKHFHSA-N
MW424.43 g/mol
LogP3.91
Rot. Bonds3

About methyl 3-[(1S)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoate

methyl 3-[(1S)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoate (PubChem CID 58305358) has the molecular formula C23H21FN2O5 and a molecular weight of 424.43 g/mol. Its IUPAC name is methyl 3-[(1S)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-[(1S)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoate
PubChem CID58305358
Molecular FormulaC23H21FN2O5
Molecular Weight424.43 g/mol
Exact Mass424.14
IUPAC Namemethyl 3-[(1S)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoate
SMILESCOC(=O)c1cc(N2CCOC2=O)cc(N2C(=O)[C@]3(CC3(C)C)c3cc(F)ccc32)c1
InChIInChI=1S/C23H21FN2O5/c1-22(2)12-23(22)17-10-14(24)4-5-18(17)26(20(23)28)16-9-13(19(27)30-3)8-15(11-16)25-6-7-31-21(25)29/h4-5,8-11H,6-7,12H2,1-3H3/t23-/m0/s1
InChIKeyXEHNUTZXPKONTN-QHCPKHFHSA-N
XLogP3.91
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1S)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoate?
The IUPAC name of methyl 3-[(1S)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoate (CID 58305358) is methyl 3-[(1S)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoate.
What is the SMILES notation for methyl 3-[(1S)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoate?
The canonical SMILES for methyl 3-[(1S)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoate is COC(=O)c1cc(N2CCOC2=O)cc(N2C(=O)[C@]3(CC3(C)C)c3cc(F)ccc32)c1.
What is the InChIKey of methyl 3-[(1S)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoate?
The InChIKey is XEHNUTZXPKONTN-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H21FN2O5/c1-22(2)12-23(22)17-10-14(24)4-5-18(17)26(20(23)28)16-9-13(19(27)30-3)8-15(11-16)25-6-7-31-21(25)29/h4-5,8-11H,6-7,12H2,1-3H3/t23-/m0/s1.
What are the key properties of methyl 3-[(1S)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoate?
methyl 3-[(1S)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoate has a molecular weight of 424.43 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1S)-5'-fluoro-2,2-dimethyl-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]-5-(2-oxo-1,3-oxazolidin-3-yl)benzoate is sourced from PubChem (CID 58305358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).