N,N-dimethyl-4-[(2S,5R)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]aniline

C20H22N4O2S — CID 7546309

IUPACN,N-dimethyl-4-[(2S,5R)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]aniline
SMILESCN(C)c1ccc([C@H]2NC[C@H](CSc3nnc(-c4ccccc4)o3)O2)cc1
InChIInChI=1S/C20H22N4O2S/c1-24(2)16-10-8-15(9-11-16)18-21-12-17(25-18)13-27-20-23-22-19(26-20)14-6-4-3-5-7-14/h3-11,17-18,21H,12-13H2,1-2H3/t17-,18+/m1/s1
InChIKeyWNZXZIMOZWBQRE-MSOLQXFVSA-N
MW382.49 g/mol
LogP3.58
Rot. Bonds6

About N,N-dimethyl-4-[(2S,5R)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]aniline

N,N-dimethyl-4-[(2S,5R)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]aniline (PubChem CID 7546309) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N,N-dimethyl-4-[(2S,5R)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(2S,5R)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]aniline
PubChem CID7546309
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN,N-dimethyl-4-[(2S,5R)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]aniline
SMILESCN(C)c1ccc([C@H]2NC[C@H](CSc3nnc(-c4ccccc4)o3)O2)cc1
InChIInChI=1S/C20H22N4O2S/c1-24(2)16-10-8-15(9-11-16)18-21-12-17(25-18)13-27-20-23-22-19(26-20)14-6-4-3-5-7-14/h3-11,17-18,21H,12-13H2,1-2H3/t17-,18+/m1/s1
InChIKeyWNZXZIMOZWBQRE-MSOLQXFVSA-N
XLogP3.58
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[(2S,5S)-5-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline
CID 7546904
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
4-[(2S,5R)-5-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline
CID 7546021
N,N-dimethyl-4-[(2S,5R)-5-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-yl]aniline
CID 7547479
4-[(2R,5R)-5-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline
CID 7550551
2-phenyl-5-(piperidin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 71778033
2-phenyl-5-[[(3S)-piperidin-3-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 97301374
2-phenyl-5-[[2,4,6-trimethyl-3,5-bis[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 139079587
2-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole
CID 54590696
2-phenyl-5-[(3R)-pyrrolidin-3-yl]sulfanyl-1,3,4-oxadiazole
CID 97301341
2-tert-butylsulfanyl-5-phenyl-1,3,4-oxadiazole
CID 166005373
2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-phenylacetamide
CID 7805622

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(2S,5R)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[(2S,5R)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]aniline (CID 7546309) is N,N-dimethyl-4-[(2S,5R)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(2S,5R)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(2S,5R)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]aniline is CN(C)c1ccc([C@H]2NC[C@H](CSc3nnc(-c4ccccc4)o3)O2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(2S,5R)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]aniline?
The InChIKey is WNZXZIMOZWBQRE-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-24(2)16-10-8-15(9-11-16)18-21-12-17(25-18)13-27-20-23-22-19(26-20)14-6-4-3-5-7-14/h3-11,17-18,21H,12-13H2,1-2H3/t17-,18+/m1/s1.
What are the key properties of N,N-dimethyl-4-[(2S,5R)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]aniline?
N,N-dimethyl-4-[(2S,5R)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]aniline has a molecular weight of 382.49 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(2S,5R)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]aniline is sourced from PubChem (CID 7546309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).