5-(1-aminopropan-2-yl)-3-(3-fluoro-4-thiophen-3-ylphenyl)-1,3-oxazolidin-2-one

C16H17FN2O2S — CID 145297579

IUPAC5-(1-aminopropan-2-yl)-3-(3-fluoro-4-thiophen-3-ylphenyl)-1,3-oxazolidin-2-one
SMILESCC(CN)C1CN(c2ccc(-c3ccsc3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H17FN2O2S/c1-10(7-18)15-8-19(16(20)21-15)12-2-3-13(14(17)6-12)11-4-5-22-9-11/h2-6,9-10,15H,7-8,18H2,1H3
InChIKeyBYUXEIQWNKRJMJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.47
Rot. Bonds4

About 5-(1-aminopropan-2-yl)-3-(3-fluoro-4-thiophen-3-ylphenyl)-1,3-oxazolidin-2-one

5-(1-aminopropan-2-yl)-3-(3-fluoro-4-thiophen-3-ylphenyl)-1,3-oxazolidin-2-one (PubChem CID 145297579) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is 5-(1-aminopropan-2-yl)-3-(3-fluoro-4-thiophen-3-ylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(1-aminopropan-2-yl)-3-(3-fluoro-4-thiophen-3-ylphenyl)-1,3-oxazolidin-2-one
PubChem CID145297579
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name5-(1-aminopropan-2-yl)-3-(3-fluoro-4-thiophen-3-ylphenyl)-1,3-oxazolidin-2-one
SMILESCC(CN)C1CN(c2ccc(-c3ccsc3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H17FN2O2S/c1-10(7-18)15-8-19(16(20)21-15)12-2-3-13(14(17)6-12)11-4-5-22-9-11/h2-6,9-10,15H,7-8,18H2,1H3
InChIKeyBYUXEIQWNKRJMJ-UHFFFAOYSA-N
XLogP3.47
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(1-aminopropan-2-yl)-3-(3-fluoro-4-thiophen-3-ylphenyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

2-[3-[3-fluoro-4-[4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174633803
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one
CID 129071122
5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one
CID 129071143
(2S)-2-[3-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174448022
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(furan-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 129070942
2-[3-[3-fluoro-4-(2-methoxypyrimidin-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174448031
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzenesulfonamide
CID 129070939
2-[3-[3-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174461287
(5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one
CID 129071185
(5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 59264706
3-[4-[4-(chloromethyl)phenyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one
CID 143068646
methyl 5-[4-[5-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate
CID 174461293

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminopropan-2-yl)-3-(3-fluoro-4-thiophen-3-ylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(1-aminopropan-2-yl)-3-(3-fluoro-4-thiophen-3-ylphenyl)-1,3-oxazolidin-2-one (CID 145297579) is 5-(1-aminopropan-2-yl)-3-(3-fluoro-4-thiophen-3-ylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(1-aminopropan-2-yl)-3-(3-fluoro-4-thiophen-3-ylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(1-aminopropan-2-yl)-3-(3-fluoro-4-thiophen-3-ylphenyl)-1,3-oxazolidin-2-one is CC(CN)C1CN(c2ccc(-c3ccsc3)c(F)c2)C(=O)O1.
What is the InChIKey of 5-(1-aminopropan-2-yl)-3-(3-fluoro-4-thiophen-3-ylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is BYUXEIQWNKRJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c1-10(7-18)15-8-19(16(20)21-15)12-2-3-13(14(17)6-12)11-4-5-22-9-11/h2-6,9-10,15H,7-8,18H2,1H3.
What are the key properties of 5-(1-aminopropan-2-yl)-3-(3-fluoro-4-thiophen-3-ylphenyl)-1,3-oxazolidin-2-one?
5-(1-aminopropan-2-yl)-3-(3-fluoro-4-thiophen-3-ylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 320.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminopropan-2-yl)-3-(3-fluoro-4-thiophen-3-ylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 145297579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).