3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;ethane

C14H16BrFN4O2 — CID 145297565

IUPAC3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;ethane
SMILESCC.O=C1OC(Cn2ccnn2)CN1c1ccc(Br)c(F)c1
InChIInChI=1S/C12H10BrFN4O2.C2H6/c13-10-2-1-8(5-11(10)14)18-7-9(20-12(18)19)6-17-4-3-15-16-17;1-2/h1-5,9H,6-7H2;1-2H3
InChIKeyWVORZBKFFRHCGM-UHFFFAOYSA-N
MW371.21 g/mol
LogP3.23
Rot. Bonds3

About 3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;ethane

3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;ethane (PubChem CID 145297565) has the molecular formula C14H16BrFN4O2 and a molecular weight of 371.21 g/mol. Its IUPAC name is 3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;ethane.

Molecular Properties

Compound Name3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;ethane
PubChem CID145297565
Molecular FormulaC14H16BrFN4O2
Molecular Weight371.21 g/mol
Exact Mass370.04
IUPAC Name3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;ethane
SMILESCC.O=C1OC(Cn2ccnn2)CN1c1ccc(Br)c(F)c1
InChIInChI=1S/C12H10BrFN4O2.C2H6/c13-10-2-1-8(5-11(10)14)18-7-9(20-12(18)19)6-17-4-3-15-16-17;1-2/h1-5,9H,6-7H2;1-2H3
InChIKeyWVORZBKFFRHCGM-UHFFFAOYSA-N
XLogP3.23
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.21
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

PH-027
CID 10089031
(5R)-3-[3,5-difluoro-4-(1,4-oxazepan-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11988305
(5R)-3-(3-fluoro-4-piperazin-1-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 16126503
(5R)-3-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 24862943
(5R)-3-[3-fluoro-4-(4-propanoylpiperazin-1-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 24862944
(5R)-3-[3-fluoro-4-(4-hexanoylpiperazin-1-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 24881596
(5R)-3-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 44138646
(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 44140069
4-[2-fluoro-4-[(5R)-5-[(4-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carbaldehyde
CID 44140196
ethyl 4-[2-fluoro-4-[(5R)-5-[(4-methyltriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboxylate
CID 44140198
(5R)-3-[3-fluoro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 44580705
2-[1-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-4-yl]acetonitrile
CID 71560157

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;ethane?
The IUPAC name of 3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;ethane (CID 145297565) is 3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;ethane.
What is the SMILES notation for 3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;ethane?
The canonical SMILES for 3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;ethane is CC.O=C1OC(Cn2ccnn2)CN1c1ccc(Br)c(F)c1.
What is the InChIKey of 3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;ethane?
The InChIKey is WVORZBKFFRHCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN4O2.C2H6/c13-10-2-1-8(5-11(10)14)18-7-9(20-12(18)19)6-17-4-3-15-16-17;1-2/h1-5,9H,6-7H2;1-2H3.
What are the key properties of 3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;ethane?
3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;ethane has a molecular weight of 371.21 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;ethane is sourced from PubChem (CID 145297565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).