3-[4-(2-amino-1,3-oxazol-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one

C12H10FN3O3 — CID 18980579

IUPAC3-[4-(2-amino-1,3-oxazol-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
SMILESNc1nc(-c2ccc(N3CCOC3=O)cc2F)co1
InChIInChI=1S/C12H10FN3O3/c13-9-5-7(16-3-4-18-12(16)17)1-2-8(9)10-6-19-11(14)15-10/h1-2,5-6H,3-4H2,(H2,14,15)
InChIKeyPQKYCOPBHYDPQJ-UHFFFAOYSA-N
MW263.23 g/mol
LogP2.02
Rot. Bonds2

About 3-[4-(2-amino-1,3-oxazol-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one

3-[4-(2-amino-1,3-oxazol-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one (PubChem CID 18980579) has the molecular formula C12H10FN3O3 and a molecular weight of 263.23 g/mol. Its IUPAC name is 3-[4-(2-amino-1,3-oxazol-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-(2-amino-1,3-oxazol-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
PubChem CID18980579
Molecular FormulaC12H10FN3O3
Molecular Weight263.23 g/mol
Exact Mass263.07
IUPAC Name3-[4-(2-amino-1,3-oxazol-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
SMILESNc1nc(-c2ccc(N3CCOC3=O)cc2F)co1
InChIInChI=1S/C12H10FN3O3/c13-9-5-7(16-3-4-18-12(16)17)1-2-8(9)10-6-19-11(14)15-10/h1-2,5-6H,3-4H2,(H2,14,15)
InChIKeyPQKYCOPBHYDPQJ-UHFFFAOYSA-N
XLogP2.02
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one
CID 104779667
3-[3-fluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one
CID 171836342
ethyl 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzoate
CID 142694824
3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 20785452
4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N',N'-dimethylbenzohydrazide
CID 142694832
3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one;methanesulfonic acid
CID 158400380
3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 89289415
3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 142270175
2-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethylidene]propanedinitrile
CID 141213401
tert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate
CID 141011533
ethane;3-[3-fluoro-4-(2-phenylethyl)phenyl]-1,3-oxazolidin-2-one
CID 142959710
3-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-fluorophenyl]-1,3-oxazolidin-2-one
CID 167839741

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-amino-1,3-oxazol-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-(2-amino-1,3-oxazol-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one (CID 18980579) is 3-[4-(2-amino-1,3-oxazol-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-(2-amino-1,3-oxazol-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-(2-amino-1,3-oxazol-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one is Nc1nc(-c2ccc(N3CCOC3=O)cc2F)co1.
What is the InChIKey of 3-[4-(2-amino-1,3-oxazol-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one?
The InChIKey is PQKYCOPBHYDPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O3/c13-9-5-7(16-3-4-18-12(16)17)1-2-8(9)10-6-19-11(14)15-10/h1-2,5-6H,3-4H2,(H2,14,15).
What are the key properties of 3-[4-(2-amino-1,3-oxazol-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one?
3-[4-(2-amino-1,3-oxazol-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one has a molecular weight of 263.23 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-amino-1,3-oxazol-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 18980579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).