benzyl N-benzyl-N-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]carbamate

C27H24FN5O4 — CID 142673022

IUPACbenzyl N-benzyl-N-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]carbamate
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N(Cc2ccccc2)C(=O)OCc2ccccc2)c(F)c1
InChIInChI=1S/C27H24FN5O4/c28-24-15-22(32-18-23(37-27(32)35)17-31-14-13-29-30-31)11-12-25(24)33(16-20-7-3-1-4-8-20)26(34)36-19-21-9-5-2-6-10-21/h1-15,23H,16-19H2/t23-/m0/s1
InChIKeyMNUOLXIQAHNAIU-QHCPKHFHSA-N
MW501.52 g/mol
LogP4.79
Rot. Bonds8

About benzyl N-benzyl-N-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]carbamate

benzyl N-benzyl-N-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]carbamate (PubChem CID 142673022) has the molecular formula C27H24FN5O4 and a molecular weight of 501.52 g/mol. Its IUPAC name is benzyl N-benzyl-N-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-benzyl-N-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]carbamate
PubChem CID142673022
Molecular FormulaC27H24FN5O4
Molecular Weight501.52 g/mol
Exact Mass501.18
IUPAC Namebenzyl N-benzyl-N-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]carbamate
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N(Cc2ccccc2)C(=O)OCc2ccccc2)c(F)c1
InChIInChI=1S/C27H24FN5O4/c28-24-15-22(32-18-23(37-27(32)35)17-31-14-13-29-30-31)11-12-25(24)33(16-20-7-3-1-4-8-20)26(34)36-19-21-9-5-2-6-10-21/h1-15,23H,16-19H2/t23-/m0/s1
InChIKeyMNUOLXIQAHNAIU-QHCPKHFHSA-N
XLogP4.79
TPSA89.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.52
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-fluoro-4-(triazol-1-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 154456896
N-[[(5S)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11756137
[[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-methylsulfanylmethylidene]azanium
CID 59988988
(5R)-3-(3-fluoro-4-thiophen-2-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 141353390
3-[3-fluoro-4-(2-hydrazinylethylamino)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 76734453
(5R)-3-[3-fluoro-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 25105384
(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626595
(5R)-3-(3-fluoro-4-piperazin-1-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;dihydrochloride
CID 69364107
4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboximidamide
CID 71472776
(5R)-3-[4-[4-(2,2-dichloroacetyl)piperazin-1-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 162661201
[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-1,2-oxazol-3-yl]methyl dihydrogen phosphate
CID 18438586
(5R)-3-[4-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 59988993

Frequently Asked Questions

What is the IUPAC name of benzyl N-benzyl-N-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]carbamate?
The IUPAC name of benzyl N-benzyl-N-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]carbamate (CID 142673022) is benzyl N-benzyl-N-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]carbamate.
What is the SMILES notation for benzyl N-benzyl-N-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]carbamate?
The canonical SMILES for benzyl N-benzyl-N-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]carbamate is O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N(Cc2ccccc2)C(=O)OCc2ccccc2)c(F)c1.
What is the InChIKey of benzyl N-benzyl-N-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]carbamate?
The InChIKey is MNUOLXIQAHNAIU-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H24FN5O4/c28-24-15-22(32-18-23(37-27(32)35)17-31-14-13-29-30-31)11-12-25(24)33(16-20-7-3-1-4-8-20)26(34)36-19-21-9-5-2-6-10-21/h1-15,23H,16-19H2/t23-/m0/s1.
What are the key properties of benzyl N-benzyl-N-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]carbamate?
benzyl N-benzyl-N-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]carbamate has a molecular weight of 501.52 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-benzyl-N-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]carbamate is sourced from PubChem (CID 142673022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).