4-[(2R,5R)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline

C19H21ClN6OS — CID 7545168

IUPAC4-[(2R,5R)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc([C@@H]2NC[C@H](CSc3nnnn3-c3ccc(Cl)cc3)O2)cc1
InChIInChI=1S/C19H21ClN6OS/c1-25(2)15-7-3-13(4-8-15)18-21-11-17(27-18)12-28-19-22-23-24-26(19)16-9-5-14(20)6-10-16/h3-10,17-18,21H,11-12H2,1-2H3/t17-,18-/m1/s1
InChIKeyXWWFIGUYWMCLOX-QZTJIDSGSA-N
MW416.94 g/mol
LogP3.16
Rot. Bonds6

About 4-[(2R,5R)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline

4-[(2R,5R)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline (PubChem CID 7545168) has the molecular formula C19H21ClN6OS and a molecular weight of 416.94 g/mol. Its IUPAC name is 4-[(2R,5R)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(2R,5R)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline
PubChem CID7545168
Molecular FormulaC19H21ClN6OS
Molecular Weight416.94 g/mol
Exact Mass416.12
IUPAC Name4-[(2R,5R)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc([C@@H]2NC[C@H](CSc3nnnn3-c3ccc(Cl)cc3)O2)cc1
InChIInChI=1S/C19H21ClN6OS/c1-25(2)15-7-3-13(4-8-15)18-21-11-17(27-18)12-28-19-22-23-24-26(19)16-9-5-14(20)6-10-16/h3-10,17-18,21H,11-12H2,1-2H3/t17-,18-/m1/s1
InChIKeyXWWFIGUYWMCLOX-QZTJIDSGSA-N
XLogP3.16
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.94
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[(2S,5S)-5-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazolidin-2-yl]aniline
CID 7561493
4-[(2S,5R)-5-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline
CID 7546021
4-[(2R,5R)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazolidin-3-ium-2-yl]-N,N-dimethylaniline
CID 7545167
4-[(2S,5S)-5-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazolidin-3-ium-2-yl]-N,N-dimethylaniline
CID 7544468
4-[(2R,5R)-5-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline
CID 7549346
N,N-dimethyl-4-[(2R,5S)-5-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]aniline
CID 7548192
N,N-dimethyl-4-[(2S,5R)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]aniline
CID 7546309
4-[(2S,5R)-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline
CID 8894879
4-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]phenol
CID 103136869
1-(4-chlorophenyl)-5-(2-methylprop-2-enylsulfanyl)tetrazole
CID 47095766
1-(4-chlorophenyl)-N,N-dimethyltetrazol-5-amine
CID 539378
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 2610330

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,5R)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[(2R,5R)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline (CID 7545168) is 4-[(2R,5R)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(2R,5R)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(2R,5R)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline is CN(C)c1ccc([C@@H]2NC[C@H](CSc3nnnn3-c3ccc(Cl)cc3)O2)cc1.
What is the InChIKey of 4-[(2R,5R)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline?
The InChIKey is XWWFIGUYWMCLOX-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H21ClN6OS/c1-25(2)15-7-3-13(4-8-15)18-21-11-17(27-18)12-28-19-22-23-24-26(19)16-9-5-14(20)6-10-16/h3-10,17-18,21H,11-12H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of 4-[(2R,5R)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline?
4-[(2R,5R)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline has a molecular weight of 416.94 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,5R)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 7545168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).