tert-butyl 1-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carboxylate

C18H22FNO5 — CID 11175563

IUPACtert-butyl 1-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(c2ccc(N3C[C@H](CO)OC3=O)cc2F)CC1
InChIInChI=1S/C18H22FNO5/c1-17(2,3)25-15(22)18(6-7-18)13-5-4-11(8-14(13)19)20-9-12(10-21)24-16(20)23/h4-5,8,12,21H,6-7,9-10H2,1-3H3/t12-/m1/s1
InChIKeyZXLYMAIUZNGKCD-GFCCVEGCSA-N
MW351.37 g/mol
LogP2.52
Rot. Bonds4

About tert-butyl 1-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carboxylate

tert-butyl 1-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carboxylate (PubChem CID 11175563) has the molecular formula C18H22FNO5 and a molecular weight of 351.37 g/mol. Its IUPAC name is tert-butyl 1-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carboxylate
PubChem CID11175563
Molecular FormulaC18H22FNO5
Molecular Weight351.37 g/mol
Exact Mass351.15
IUPAC Nametert-butyl 1-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(c2ccc(N3C[C@H](CO)OC3=O)cc2F)CC1
InChIInChI=1S/C18H22FNO5/c1-17(2,3)25-15(22)18(6-7-18)13-5-4-11(8-14(13)19)20-9-12(10-21)24-16(20)23/h4-5,8,12,21H,6-7,9-10H2,1-3H3/t12-/m1/s1
InChIKeyZXLYMAIUZNGKCD-GFCCVEGCSA-N
XLogP2.52
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 1-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carboxylate with MolForge

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Related Compounds

4-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxothiane-4-carbonitrile
CID 53344678
1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]cyclopropane-1-carboxylic acid
CID 10286662
tert-butyl N-[[(5S)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 67539880
[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]boronic acid;methane
CID 145042333
(5R)-3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 10566736
3-[3-fluoro-4-(3-methoxyazetidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 70196444
3-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 68698798
3-[4-(2,5-dihydropyrrol-1-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 123927196
2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzonitrile
CID 78008729
[3-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylimino-methyliminoazanium
CID 142236789
3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 54334011
(5R)-3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 101167179

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 1-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carboxylate (CID 11175563) is tert-butyl 1-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 1-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carboxylate is CC(C)(C)OC(=O)C1(c2ccc(N3C[C@H](CO)OC3=O)cc2F)CC1.
What is the InChIKey of tert-butyl 1-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carboxylate?
The InChIKey is ZXLYMAIUZNGKCD-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22FNO5/c1-17(2,3)25-15(22)18(6-7-18)13-5-4-11(8-14(13)19)20-9-12(10-21)24-16(20)23/h4-5,8,12,21H,6-7,9-10H2,1-3H3/t12-/m1/s1.
What are the key properties of tert-butyl 1-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carboxylate?
tert-butyl 1-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carboxylate has a molecular weight of 351.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 11175563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).