1-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea

C18H15F4N3O3 — CID 16923026

IUPAC1-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC1CN(c2ccc(F)cc2)C(=O)O1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15F4N3O3/c19-12-4-6-14(7-5-12)25-10-15(28-17(25)27)9-23-16(26)24-13-3-1-2-11(8-13)18(20,21)22/h1-8,15H,9-10H2,(H2,23,24,26)
InChIKeyWAWHMHBZRYTAHJ-UHFFFAOYSA-N
MW397.33 g/mol
LogP3.99
Rot. Bonds4

About 1-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 16923026) has the molecular formula C18H15F4N3O3 and a molecular weight of 397.33 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID16923026
Molecular FormulaC18H15F4N3O3
Molecular Weight397.33 g/mol
Exact Mass397.10
IUPAC Name1-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC1CN(c2ccc(F)cc2)C(=O)O1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15F4N3O3/c19-12-4-6-14(7-5-12)25-10-15(28-17(25)27)9-23-16(26)24-13-3-1-2-11(8-13)18(20,21)22/h1-8,15H,9-10H2,(H2,23,24,26)
InChIKeyWAWHMHBZRYTAHJ-UHFFFAOYSA-N
XLogP3.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.33
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 16923026) is 1-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea is O=C(NCC1CN(c2ccc(F)cc2)C(=O)O1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is WAWHMHBZRYTAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N3O3/c19-12-4-6-14(7-5-12)25-10-15(28-17(25)27)9-23-16(26)24-13-3-1-2-11(8-13)18(20,21)22/h1-8,15H,9-10H2,(H2,23,24,26).
What are the key properties of 1-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 397.33 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 16923026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).