[(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate

C23H22FN3O5 — CID 11307442

IUPAC[(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate
SMILESCc1nc(-c2ccc(-c3ccc(N4C[C@H](COC(=O)CN)OC4=O)cc3F)cc2)oc1C
InChIInChI=1S/C23H22FN3O5/c1-13-14(2)31-22(26-13)16-5-3-15(4-6-16)19-8-7-17(9-20(19)24)27-11-18(32-23(27)29)12-30-21(28)10-25/h3-9,18H,10-12,25H2,1-2H3/t18-/m1/s1
InChIKeySEISIIRQYDXNBG-GOSISDBHSA-N
MW439.44 g/mol
LogP3.59
Rot. Bonds6

About [(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate

[(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate (PubChem CID 11307442) has the molecular formula C23H22FN3O5 and a molecular weight of 439.44 g/mol. Its IUPAC name is [(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate.

Molecular Properties

Compound Name[(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate
PubChem CID11307442
Molecular FormulaC23H22FN3O5
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC Name[(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate
SMILESCc1nc(-c2ccc(-c3ccc(N4C[C@H](COC(=O)CN)OC4=O)cc3F)cc2)oc1C
InChIInChI=1S/C23H22FN3O5/c1-13-14(2)31-22(26-13)16-5-3-15(4-6-16)19-8-7-17(9-20(19)24)27-11-18(32-23(27)29)12-30-21(28)10-25/h3-9,18H,10-12,25H2,1-2H3/t18-/m1/s1
InChIKeySEISIIRQYDXNBG-GOSISDBHSA-N
XLogP3.59
TPSA107.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate with MolForge

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Launch Full Analysis

Related Compounds

[(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroethane-1,1-diol
CID 11307441
3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one
CID 123298468
[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate
CID 72783304
[(5R)-3-[3-fluoro-4-[6-(triazol-2-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid
CID 11272471
[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzoyl]amino] 2-aminoacetate
CID 24993367
[(5R)-3-[3-fluoro-4-[4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate
CID 59749419
[[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-aminomethylidene]amino] 2-aminoacetate
CID 91462402
4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide
CID 158273364
[3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid
CID 11215545
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-1,3-oxazolidin-2-one;methyl 3-[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate
CID 157352666
[(2S)-1-[[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]-3-methyl-1-oxobutan-2-yl]azanium
CID 59515984
(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10411371

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate?
The IUPAC name of [(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate (CID 11307442) is [(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate.
What is the SMILES notation for [(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate?
The canonical SMILES for [(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate is Cc1nc(-c2ccc(-c3ccc(N4C[C@H](COC(=O)CN)OC4=O)cc3F)cc2)oc1C.
What is the InChIKey of [(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate?
The InChIKey is SEISIIRQYDXNBG-GOSISDBHSA-N. The full InChI is InChI=1S/C23H22FN3O5/c1-13-14(2)31-22(26-13)16-5-3-15(4-6-16)19-8-7-17(9-20(19)24)27-11-18(32-23(27)29)12-30-21(28)10-25/h3-9,18H,10-12,25H2,1-2H3/t18-/m1/s1.
What are the key properties of [(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate?
[(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate has a molecular weight of 439.44 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate is sourced from PubChem (CID 11307442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).