(5R)-3-(3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C12H11FN4O2 — CID 11984359

IUPAC(5R)-3-(3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1cccc(F)c1
InChIInChI=1S/C12H11FN4O2/c13-9-2-1-3-10(6-9)17-8-11(19-12(17)18)7-16-5-4-14-15-16/h1-6,11H,7-8H2/t11-/m0/s1
InChIKeyMXMJKQPAUVHHEK-NSHDSACASA-N
MW262.24 g/mol
LogP1.44
Rot. Bonds3

About (5R)-3-(3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-(3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 11984359) has the molecular formula C12H11FN4O2 and a molecular weight of 262.24 g/mol. Its IUPAC name is (5R)-3-(3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-(3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID11984359
Molecular FormulaC12H11FN4O2
Molecular Weight262.24 g/mol
Exact Mass262.09
IUPAC Name(5R)-3-(3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1cccc(F)c1
InChIInChI=1S/C12H11FN4O2/c13-9-2-1-3-10(6-9)17-8-11(19-12(17)18)7-16-5-4-14-15-16/h1-6,11H,7-8H2/t11-/m0/s1
InChIKeyMXMJKQPAUVHHEK-NSHDSACASA-N
XLogP1.44
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-3-[4-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 25105383
2-[1-[2-fluoro-4-[(5R)-5-[(4-fluorotriazol-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidin-4-ylidene]acetonitrile
CID 71560281
PH-027
CID 10089031
(5R)-3-[3-Fluoro-4-(1-methyl-1H-1,2,3-triazol-4-yl)phenyl]-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 10337483
Acetamide, N-(((5S)-3-(3-fluoro-4-(1H-1,2,3-triazol-1-yl)phenyl)-2-oxo-5-oxazolidinyl)methyl)-
CID 10567624
N-[[(5S)-3-[3-fluoro-4-(triazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10591694
N-[[(5S)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10808606
(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-[3,5-difluoro-4-(1,4-oxazepan-4-yl)phenyl]-5-[(4-ethynyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 15941507
(5R)-3-(3-fluoro-4-piperazin-1-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 16126503
(5R)-5-(triazol-1-ylmethyl)-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 25184466
(5R)-3-[3-fluoro-4-[1-(2-hydroxyacetyl)-1,2,5-triazepan-5-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 25253624

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-(3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 11984359) is (5R)-3-(3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-(3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-(3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](Cn2ccnn2)CN1c1cccc(F)c1.
What is the InChIKey of (5R)-3-(3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is MXMJKQPAUVHHEK-NSHDSACASA-N. The full InChI is InChI=1S/C12H11FN4O2/c13-9-2-1-3-10(6-9)17-8-11(19-12(17)18)7-16-5-4-14-15-16/h1-6,11H,7-8H2/t11-/m0/s1.
What are the key properties of (5R)-3-(3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-(3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 262.24 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3-fluorophenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11984359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).