(5R)-3-[4-(1-benzyltriazol-4-yl)-3-fluorophenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one

C22H20FN7O2 — CID 10071508

IUPAC(5R)-3-[4-(1-benzyltriazol-4-yl)-3-fluorophenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1cn(C[C@H]2CN(c3ccc(-c4cn(Cc5ccccc5)nn4)c(F)c3)C(=O)O2)nn1
InChIInChI=1S/C22H20FN7O2/c1-15-10-28(26-24-15)12-18-13-30(22(31)32-18)17-7-8-19(20(23)9-17)21-14-29(27-25-21)11-16-5-3-2-4-6-16/h2-10,14,18H,11-13H2,1H3/t18-/m0/s1
InChIKeyKSTLAXTWMSNIIZ-SFHVURJKSA-N
MW433.45 g/mol
LogP3.06
Rot. Bonds6

About (5R)-3-[4-(1-benzyltriazol-4-yl)-3-fluorophenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one

(5R)-3-[4-(1-benzyltriazol-4-yl)-3-fluorophenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 10071508) has the molecular formula C22H20FN7O2 and a molecular weight of 433.45 g/mol. Its IUPAC name is (5R)-3-[4-(1-benzyltriazol-4-yl)-3-fluorophenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[4-(1-benzyltriazol-4-yl)-3-fluorophenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID10071508
Molecular FormulaC22H20FN7O2
Molecular Weight433.45 g/mol
Exact Mass433.17
IUPAC Name(5R)-3-[4-(1-benzyltriazol-4-yl)-3-fluorophenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1cn(C[C@H]2CN(c3ccc(-c4cn(Cc5ccccc5)nn4)c(F)c3)C(=O)O2)nn1
InChIInChI=1S/C22H20FN7O2/c1-15-10-28(26-24-15)12-18-13-30(22(31)32-18)17-7-8-19(20(23)9-17)21-14-29(27-25-21)11-16-5-3-2-4-6-16/h2-10,14,18H,11-13H2,1H3/t18-/m0/s1
InChIKeyKSTLAXTWMSNIIZ-SFHVURJKSA-N
XLogP3.06
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Radezolid
CID 11224409
N-[[(5S)-3-[3-fluoro-4-[4-(triazol-1-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11625678
N-[3-(2-Fluoro-4'-{[(1H-[1,2,3]triazol-4-ylmethyl)-amino]-methyl}-biphenyl-4-yl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide
CID 22274119
(5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626128
3-[2-({[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)ethyl]-1,3-oxazolidin-2-one
CID 16188420
Radezolid Hydrochloride
CID 44148951
(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-5-[(5-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 11361757
(5R)-3-[4-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 25105383
(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-5-[(4-ethyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 9979525
(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-5-[(4-propan-2-yltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 10025920
(5R)-3-[3-Fluoro-4-(1H-1,2,3-triazol-4-yl)phenyl]-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 10245986
(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

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-(1-benzyltriazol-4-yl)-3-fluorophenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[4-(1-benzyltriazol-4-yl)-3-fluorophenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one (CID 10071508) is (5R)-3-[4-(1-benzyltriazol-4-yl)-3-fluorophenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[4-(1-benzyltriazol-4-yl)-3-fluorophenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[4-(1-benzyltriazol-4-yl)-3-fluorophenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one is Cc1cn(C[C@H]2CN(c3ccc(-c4cn(Cc5ccccc5)nn4)c(F)c3)C(=O)O2)nn1.
What is the InChIKey of (5R)-3-[4-(1-benzyltriazol-4-yl)-3-fluorophenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is KSTLAXTWMSNIIZ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H20FN7O2/c1-15-10-28(26-24-15)12-18-13-30(22(31)32-18)17-7-8-19(20(23)9-17)21-14-29(27-25-21)11-16-5-3-2-4-6-16/h2-10,14,18H,11-13H2,1H3/t18-/m0/s1.
What are the key properties of (5R)-3-[4-(1-benzyltriazol-4-yl)-3-fluorophenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
(5R)-3-[4-(1-benzyltriazol-4-yl)-3-fluorophenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 433.45 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-(1-benzyltriazol-4-yl)-3-fluorophenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10071508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).