5-benzyl-5-fluoro-3-(4-methoxyphenyl)-4-methyl-1,3-oxazolidin-2-one

C18H18FNO3 — CID 141482635

IUPAC5-benzyl-5-fluoro-3-(4-methoxyphenyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2C(=O)OC(F)(Cc3ccccc3)C2C)cc1
InChIInChI=1S/C18H18FNO3/c1-13-18(19,12-14-6-4-3-5-7-14)23-17(21)20(13)15-8-10-16(22-2)11-9-15/h3-11,13H,12H2,1-2H3
InChIKeyDTZBICIWXQMBGP-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.95
Rot. Bonds4

About 5-benzyl-5-fluoro-3-(4-methoxyphenyl)-4-methyl-1,3-oxazolidin-2-one

5-benzyl-5-fluoro-3-(4-methoxyphenyl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 141482635) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is 5-benzyl-5-fluoro-3-(4-methoxyphenyl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-benzyl-5-fluoro-3-(4-methoxyphenyl)-4-methyl-1,3-oxazolidin-2-one
PubChem CID141482635
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name5-benzyl-5-fluoro-3-(4-methoxyphenyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2C(=O)OC(F)(Cc3ccccc3)C2C)cc1
InChIInChI=1S/C18H18FNO3/c1-13-18(19,12-14-6-4-3-5-7-14)23-17(21)20(13)15-8-10-16(22-2)11-9-15/h3-11,13H,12H2,1-2H3
InChIKeyDTZBICIWXQMBGP-UHFFFAOYSA-N
XLogP3.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1087842
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3-benzyl-5-fluorobenzo[d]oxazol-2(3H)-one
CID 52942744
(1-benzhydrylazetidin-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate
CID 2822603
3-(2-Methoxy-benzyl)-5-methyl-3H-benzooxazol-2-one
CID 851211
3-[(3-Methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 2086421
3-[(3-Fluorophenyl)methyl]-1,3-benzoxazol-2-one
CID 8071109
[(4R,5S)-3-(4-methoxyphenyl)-2-oxo-4-(3-phenylpropyl)-1,3-oxazolidin-5-yl]methyl 2-phenylacetate
CID 44413436
3-[3-(3-methylphenoxy)propyl]-1,3-benzoxazol-2(3H)-one
CID 2147692
3-Phenyl-5-(p-tolyloxymethyl)oxazolidin-2-one
CID 46887320
3-Phenethyl-3H-benzooxazol-2-one
CID 651817

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5-fluoro-3-(4-methoxyphenyl)-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-benzyl-5-fluoro-3-(4-methoxyphenyl)-4-methyl-1,3-oxazolidin-2-one (CID 141482635) is 5-benzyl-5-fluoro-3-(4-methoxyphenyl)-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-benzyl-5-fluoro-3-(4-methoxyphenyl)-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-benzyl-5-fluoro-3-(4-methoxyphenyl)-4-methyl-1,3-oxazolidin-2-one is COc1ccc(N2C(=O)OC(F)(Cc3ccccc3)C2C)cc1.
What is the InChIKey of 5-benzyl-5-fluoro-3-(4-methoxyphenyl)-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is DTZBICIWXQMBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-13-18(19,12-14-6-4-3-5-7-14)23-17(21)20(13)15-8-10-16(22-2)11-9-15/h3-11,13H,12H2,1-2H3.
What are the key properties of 5-benzyl-5-fluoro-3-(4-methoxyphenyl)-4-methyl-1,3-oxazolidin-2-one?
5-benzyl-5-fluoro-3-(4-methoxyphenyl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 315.34 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-fluoro-3-(4-methoxyphenyl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 141482635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).