ethyl 2-[[(4S,5S)-3-(4-chlorophenyl)-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]tetrazole-5-carboxylate

C20H16ClF2N5O4 — CID 59485751

IUPACethyl 2-[[(4S,5S)-3-(4-chlorophenyl)-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnn(C[C@@H]2OC(=O)N(c3ccc(Cl)cc3)[C@H]2c2cc(F)cc(F)c2)n1
InChIInChI=1S/C20H16ClF2N5O4/c1-2-31-19(29)18-24-26-27(25-18)10-16-17(11-7-13(22)9-14(23)8-11)28(20(30)32-16)15-5-3-12(21)4-6-15/h3-9,16-17H,2,10H2,1H3/t16-,17-/m0/s1
InChIKeyNZOYZNIVQUAAMR-IRXDYDNUSA-N
MW463.83 g/mol
LogP3.55
Rot. Bonds6

About ethyl 2-[[(4S,5S)-3-(4-chlorophenyl)-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]tetrazole-5-carboxylate

ethyl 2-[[(4S,5S)-3-(4-chlorophenyl)-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]tetrazole-5-carboxylate (PubChem CID 59485751) has the molecular formula C20H16ClF2N5O4 and a molecular weight of 463.83 g/mol. Its IUPAC name is ethyl 2-[[(4S,5S)-3-(4-chlorophenyl)-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]tetrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(4S,5S)-3-(4-chlorophenyl)-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]tetrazole-5-carboxylate
PubChem CID59485751
Molecular FormulaC20H16ClF2N5O4
Molecular Weight463.83 g/mol
Exact Mass463.09
IUPAC Nameethyl 2-[[(4S,5S)-3-(4-chlorophenyl)-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnn(C[C@@H]2OC(=O)N(c3ccc(Cl)cc3)[C@H]2c2cc(F)cc(F)c2)n1
InChIInChI=1S/C20H16ClF2N5O4/c1-2-31-19(29)18-24-26-27(25-18)10-16-17(11-7-13(22)9-14(23)8-11)28(20(30)32-16)15-5-3-12(21)4-6-15/h3-9,16-17H,2,10H2,1H3/t16-,17-/m0/s1
InChIKeyNZOYZNIVQUAAMR-IRXDYDNUSA-N
XLogP3.55
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.83
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[(4S,5S)-3-(4-chlorophenyl)-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]tetrazole-5-carboxylate with MolForge

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Related Compounds

(4S,5S)-3-(4-chlorophenyl)-4-(3,5-difluorophenyl)-5-[[5-(6-methyl-3-pyridinyl)tetrazol-2-yl]methyl]-1,3-oxazolidin-2-one;[(4S,5R)-3-(4-chlorophenyl)-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate;2-methyl-5-(2H-tetrazol-5-yl)pyridine
CID 161376765
[(4S,5R)-3-(4-chlorophenyl)-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 59485605
(4S,5S)-3-(4-chlorophenyl)-5-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-4-(3-fluorophenyl)-1,3-oxazolidin-2-one
CID 59485929
ethyl (4S,5S)-3-[4-(4-chlorophenoxy)phenyl]-4-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxylate
CID 59486050
(4S,5S)-3-(4-chlorophenyl)-5-[[4-(diethylaminomethyl)triazol-1-yl]methyl]-4-(3-methoxyphenyl)-1,3-oxazolidin-2-one;(4S,5S)-3-(4-chlorophenyl)-5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-4-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 158366811
ethyl 1-(4-chlorophenyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
CID 69499183
(4S,5S)-3-[4-(4-chlorophenoxy)phenyl]-4-(3,5-difluorophenyl)-5-[5-(2-oxopyrrolidin-1-yl)pentyl]-1,3-oxazolidin-2-one
CID 158815890
(4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 24994309
ethyl 1-(3,4-difluorophenyl)-5-methyltriazole-4-carboxylate
CID 58191733
ethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate
CID 139926661
ethyl (2R)-2-(4-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 54739891
ethyl 3-amino-1-(4-chlorophenyl)pyrazole-5-carboxylate
CID 177207575

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(4S,5S)-3-(4-chlorophenyl)-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]tetrazole-5-carboxylate?
The IUPAC name of ethyl 2-[[(4S,5S)-3-(4-chlorophenyl)-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]tetrazole-5-carboxylate (CID 59485751) is ethyl 2-[[(4S,5S)-3-(4-chlorophenyl)-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]tetrazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[(4S,5S)-3-(4-chlorophenyl)-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]tetrazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[(4S,5S)-3-(4-chlorophenyl)-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]tetrazole-5-carboxylate is CCOC(=O)c1nnn(C[C@@H]2OC(=O)N(c3ccc(Cl)cc3)[C@H]2c2cc(F)cc(F)c2)n1.
What is the InChIKey of ethyl 2-[[(4S,5S)-3-(4-chlorophenyl)-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]tetrazole-5-carboxylate?
The InChIKey is NZOYZNIVQUAAMR-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H16ClF2N5O4/c1-2-31-19(29)18-24-26-27(25-18)10-16-17(11-7-13(22)9-14(23)8-11)28(20(30)32-16)15-5-3-12(21)4-6-15/h3-9,16-17H,2,10H2,1H3/t16-,17-/m0/s1.
What are the key properties of ethyl 2-[[(4S,5S)-3-(4-chlorophenyl)-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]tetrazole-5-carboxylate?
ethyl 2-[[(4S,5S)-3-(4-chlorophenyl)-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]tetrazole-5-carboxylate has a molecular weight of 463.83 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(4S,5S)-3-(4-chlorophenyl)-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]tetrazole-5-carboxylate is sourced from PubChem (CID 59485751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).