(5S)-3-(7-fluoro-1,4-dimethyl-2-oxo-3H-indol-5-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one

C17H17FN4O4 — CID 145470987

IUPAC(5S)-3-(7-fluoro-1,4-dimethyl-2-oxo-3H-indol-5-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one
SMILESCc1c(N2C[C@H](CNc3ccon3)OC2=O)cc(F)c2c1CC(=O)N2C
InChIInChI=1S/C17H17FN4O4/c1-9-11-5-15(23)21(2)16(11)12(18)6-13(9)22-8-10(26-17(22)24)7-19-14-3-4-25-20-14/h3-4,6,10H,5,7-8H2,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyRKNOWPHERRLNFA-JTQLQIEISA-N
MW360.35 g/mol
LogP2.08
Rot. Bonds4

About (5S)-3-(7-fluoro-1,4-dimethyl-2-oxo-3H-indol-5-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one

(5S)-3-(7-fluoro-1,4-dimethyl-2-oxo-3H-indol-5-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one (PubChem CID 145470987) has the molecular formula C17H17FN4O4 and a molecular weight of 360.35 g/mol. Its IUPAC name is (5S)-3-(7-fluoro-1,4-dimethyl-2-oxo-3H-indol-5-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-(7-fluoro-1,4-dimethyl-2-oxo-3H-indol-5-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one
PubChem CID145470987
Molecular FormulaC17H17FN4O4
Molecular Weight360.35 g/mol
Exact Mass360.12
IUPAC Name(5S)-3-(7-fluoro-1,4-dimethyl-2-oxo-3H-indol-5-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one
SMILESCc1c(N2C[C@H](CNc3ccon3)OC2=O)cc(F)c2c1CC(=O)N2C
InChIInChI=1S/C17H17FN4O4/c1-9-11-5-15(23)21(2)16(11)12(18)6-13(9)22-8-10(26-17(22)24)7-19-14-3-4-25-20-14/h3-4,6,10H,5,7-8H2,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyRKNOWPHERRLNFA-JTQLQIEISA-N
XLogP2.08
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(7-fluoro-1,4-dimethyl-2-oxo-3H-indol-5-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-(7-fluoro-1,4-dimethyl-2-oxo-3H-indol-5-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one (CID 145470987) is (5S)-3-(7-fluoro-1,4-dimethyl-2-oxo-3H-indol-5-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-(7-fluoro-1,4-dimethyl-2-oxo-3H-indol-5-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-(7-fluoro-1,4-dimethyl-2-oxo-3H-indol-5-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one is Cc1c(N2C[C@H](CNc3ccon3)OC2=O)cc(F)c2c1CC(=O)N2C.
What is the InChIKey of (5S)-3-(7-fluoro-1,4-dimethyl-2-oxo-3H-indol-5-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one?
The InChIKey is RKNOWPHERRLNFA-JTQLQIEISA-N. The full InChI is InChI=1S/C17H17FN4O4/c1-9-11-5-15(23)21(2)16(11)12(18)6-13(9)22-8-10(26-17(22)24)7-19-14-3-4-25-20-14/h3-4,6,10H,5,7-8H2,1-2H3,(H,19,20)/t10-/m0/s1.
What are the key properties of (5S)-3-(7-fluoro-1,4-dimethyl-2-oxo-3H-indol-5-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one?
(5S)-3-(7-fluoro-1,4-dimethyl-2-oxo-3H-indol-5-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one has a molecular weight of 360.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(7-fluoro-1,4-dimethyl-2-oxo-3H-indol-5-yl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 145470987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).