(5R)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one

C16H19FINO5 — CID 139995287

IUPAC(5R)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one
SMILESCC1(C)OCC(COC[C@H]2CN(c3ccc(I)c(F)c3)C(=O)O2)O1
InChIInChI=1S/C16H19FINO5/c1-16(2)22-9-12(24-16)8-21-7-11-6-19(15(20)23-11)10-3-4-14(18)13(17)5-10/h3-5,11-12H,6-9H2,1-2H3/t11-,12?/m1/s1
InChIKeyXZRUUAYMEAEJKV-JHJMLUEUSA-N
MW451.23 g/mol
LogP2.92
Rot. Bonds5

About (5R)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one

(5R)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one (PubChem CID 139995287) has the molecular formula C16H19FINO5 and a molecular weight of 451.23 g/mol. Its IUPAC name is (5R)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one
PubChem CID139995287
Molecular FormulaC16H19FINO5
Molecular Weight451.23 g/mol
Exact Mass451.03
IUPAC Name(5R)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one
SMILESCC1(C)OCC(COC[C@H]2CN(c3ccc(I)c(F)c3)C(=O)O2)O1
InChIInChI=1S/C16H19FINO5/c1-16(2)22-9-12(24-16)8-21-7-11-6-19(15(20)23-11)10-3-4-14(18)13(17)5-10/h3-5,11-12H,6-9H2,1-2H3/t11-,12?/m1/s1
InChIKeyXZRUUAYMEAEJKV-JHJMLUEUSA-N
XLogP2.92
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl acetate
CID 139974744
[(5R)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
CID 141380839
(5R)-3-(3-fluoro-4-iodophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 11859040
methyl N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 58610310
(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10411371
2,2-difluoro-N-[[3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 66884287
2,2-difluoro-N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59488886
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-2-one
CID 70917959
[3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfinate
CID 143058308
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
[(5R)-3-(3,5-difluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 25133625
(5S)-5-(aminomethyl)-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one;2-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 158402090

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one (CID 139995287) is (5R)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one is CC1(C)OCC(COC[C@H]2CN(c3ccc(I)c(F)c3)C(=O)O2)O1.
What is the InChIKey of (5R)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one?
The InChIKey is XZRUUAYMEAEJKV-JHJMLUEUSA-N. The full InChI is InChI=1S/C16H19FINO5/c1-16(2)22-9-12(24-16)8-21-7-11-6-19(15(20)23-11)10-3-4-14(18)13(17)5-10/h3-5,11-12H,6-9H2,1-2H3/t11-,12?/m1/s1.
What are the key properties of (5R)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one?
(5R)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one has a molecular weight of 451.23 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxymethyl]-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 139995287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).