3-(5-fluorocyclohexa-2,4-dien-1-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C12H13FN4O2 — CID 143367767

IUPAC3-(5-fluorocyclohexa-2,4-dien-1-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(Cn2ccnn2)CN1C1C=CC=C(F)C1
InChIInChI=1S/C12H13FN4O2/c13-9-2-1-3-10(6-9)17-8-11(19-12(17)18)7-16-5-4-14-15-16/h1-5,10-11H,6-8H2
InChIKeyDYTCPMAOONAXEA-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.28
Rot. Bonds3

About 3-(5-fluorocyclohexa-2,4-dien-1-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

3-(5-fluorocyclohexa-2,4-dien-1-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 143367767) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is 3-(5-fluorocyclohexa-2,4-dien-1-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(5-fluorocyclohexa-2,4-dien-1-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID143367767
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name3-(5-fluorocyclohexa-2,4-dien-1-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(Cn2ccnn2)CN1C1C=CC=C(F)C1
InChIInChI=1S/C12H13FN4O2/c13-9-2-1-3-10(6-9)17-8-11(19-12(17)18)7-16-5-4-14-15-16/h1-5,10-11H,6-8H2
InChIKeyDYTCPMAOONAXEA-UHFFFAOYSA-N
XLogP1.28
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;3-(5-fluorocyclohexa-2,4-dien-1-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 143367766
(5R)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 126495772
tert-butyl 3-[2,6-difluoro-4-[(5S)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 91092380
tert-butyl (1R,5S)-3-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 59996353
3-[3,5-difluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 126495773
3-[3-fluoro-4-(triazol-1-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 154456896
(5R)-3-[4-(1,3,3a,4,5,7,8,8a-octahydrothiepino[4,5-c]pyrrol-2-yl)-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 155319477
(5R)-3-[3,5-difluoro-4-[(1R,5S)-3-thia-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 135148534
(5R)-3-(3-fluoro-4-piperazin-1-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;dihydrochloride
CID 69364107
(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 58361721
3-[3-fluoro-4-(2-hydrazinylethylamino)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 76734453
(5R)-3-[4-[4-(1,1-dioxothietan-3-yl)piperidin-1-yl]-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 146310202

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluorocyclohexa-2,4-dien-1-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(5-fluorocyclohexa-2,4-dien-1-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 143367767) is 3-(5-fluorocyclohexa-2,4-dien-1-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(5-fluorocyclohexa-2,4-dien-1-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(5-fluorocyclohexa-2,4-dien-1-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1OC(Cn2ccnn2)CN1C1C=CC=C(F)C1.
What is the InChIKey of 3-(5-fluorocyclohexa-2,4-dien-1-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is DYTCPMAOONAXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c13-9-2-1-3-10(6-9)17-8-11(19-12(17)18)7-16-5-4-14-15-16/h1-5,10-11H,6-8H2.
What are the key properties of 3-(5-fluorocyclohexa-2,4-dien-1-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
3-(5-fluorocyclohexa-2,4-dien-1-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 264.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluorocyclohexa-2,4-dien-1-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 143367767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).