N-(aminomethylidene)-N'-[[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide

C19H19FN4O2S — CID 145300095

IUPACN-(aminomethylidene)-N'-[[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide
SMILESCSc1ccc(-c2ccc(N3C[C@H](C/N=C/N=C/N)OC3=O)cc2F)cc1
InChIInChI=1S/C19H19FN4O2S/c1-27-16-5-2-13(3-6-16)17-7-4-14(8-18(17)20)24-10-15(26-19(24)25)9-22-12-23-11-21/h2-8,11-12,15H,9-10H2,1H3,(H2,21,22,23)/t15-/m0/s1
InChIKeyXCFMYPLTTIDTOY-HNNXBMFYSA-N
MW386.45 g/mol
LogP3.56
Rot. Bonds6

About N-(aminomethylidene)-N'-[[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide

N-(aminomethylidene)-N'-[[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide (PubChem CID 145300095) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(aminomethylidene)-N'-[[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide.

Molecular Properties

Compound NameN-(aminomethylidene)-N'-[[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide
PubChem CID145300095
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC NameN-(aminomethylidene)-N'-[[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide
SMILESCSc1ccc(-c2ccc(N3C[C@H](C/N=C/N=C/N)OC3=O)cc2F)cc1
InChIInChI=1S/C19H19FN4O2S/c1-27-16-5-2-13(3-6-16)17-7-4-14(8-18(17)20)24-10-15(26-19(24)25)9-22-12-23-11-21/h2-8,11-12,15H,9-10H2,1H3,(H2,21,22,23)/t15-/m0/s1
InChIKeyXCFMYPLTTIDTOY-HNNXBMFYSA-N
XLogP3.56
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(aminomethylidene)-N'-[[3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide
CID 145300114
1-(dimethylamino)-1-[[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]urea
CID 135351769
(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
1-ethyl-3-[[3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]urea
CID 129071137
fluoromethane;N'-[[3-[3-fluoro-4-(3-sulfinamoylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide
CID 142436836
3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-5-(tetrazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 129071148
(5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 59264706
N-[[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]imidazole-1-carboxamide
CID 129071224
4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide
CID 158273364
ethane;N-[[3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]imidazole-1-carboxamide
CID 145297554
5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one
CID 129071143
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one
CID 129071122

Frequently Asked Questions

What is the IUPAC name of N-(aminomethylidene)-N'-[[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide?
The IUPAC name of N-(aminomethylidene)-N'-[[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide (CID 145300095) is N-(aminomethylidene)-N'-[[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide.
What is the SMILES notation for N-(aminomethylidene)-N'-[[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide?
The canonical SMILES for N-(aminomethylidene)-N'-[[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide is CSc1ccc(-c2ccc(N3C[C@H](C/N=C/N=C/N)OC3=O)cc2F)cc1.
What is the InChIKey of N-(aminomethylidene)-N'-[[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide?
The InChIKey is XCFMYPLTTIDTOY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c1-27-16-5-2-13(3-6-16)17-7-4-14(8-18(17)20)24-10-15(26-19(24)25)9-22-12-23-11-21/h2-8,11-12,15H,9-10H2,1H3,(H2,21,22,23)/t15-/m0/s1.
What are the key properties of N-(aminomethylidene)-N'-[[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide?
N-(aminomethylidene)-N'-[[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide has a molecular weight of 386.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethylidene)-N'-[[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide is sourced from PubChem (CID 145300095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).