fluoromethane;N'-[[3-[3-fluoro-4-(3-sulfinamoylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide

C18H20F2N4O3S — CID 142436836

IUPACfluoromethane;N'-[[3-[3-fluoro-4-(3-sulfinamoylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide
SMILESCF.N/C=N/CC1CN(c2ccc(-c3cccc(S(N)=O)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H17FN4O3S.CH3F/c18-16-7-12(22-9-13(8-21-10-19)25-17(22)23)4-5-15(16)11-2-1-3-14(6-11)26(20)24;1-2/h1-7,10,13H,8-9,20H2,(H2,19,21);1H3
InChIKeyIWWJELDAEJQCRA-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.37
Rot. Bonds5

About fluoromethane;N'-[[3-[3-fluoro-4-(3-sulfinamoylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide

fluoromethane;N'-[[3-[3-fluoro-4-(3-sulfinamoylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide (PubChem CID 142436836) has the molecular formula C18H20F2N4O3S and a molecular weight of 410.45 g/mol. Its IUPAC name is fluoromethane;N'-[[3-[3-fluoro-4-(3-sulfinamoylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide.

Molecular Properties

Compound Namefluoromethane;N'-[[3-[3-fluoro-4-(3-sulfinamoylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide
PubChem CID142436836
Molecular FormulaC18H20F2N4O3S
Molecular Weight410.45 g/mol
Exact Mass410.12
IUPAC Namefluoromethane;N'-[[3-[3-fluoro-4-(3-sulfinamoylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide
SMILESCF.N/C=N/CC1CN(c2ccc(-c3cccc(S(N)=O)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H17FN4O3S.CH3F/c18-16-7-12(22-9-13(8-21-10-19)25-17(22)23)4-5-15(16)11-2-1-3-14(6-11)26(20)24;1-2/h1-7,10,13H,8-9,20H2,(H2,19,21);1H3
InChIKeyIWWJELDAEJQCRA-UHFFFAOYSA-N
XLogP2.37
TPSA111.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.37
H-Bond Donors ≤ 52
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'-[[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide
CID 145300095
N-(aminomethylidene)-N'-[[3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide
CID 145300114
(5S)-5-ethyl-3-[3-fluoro-4-(3-nitrophenyl)phenyl]-1,3-oxazolidin-2-one
CID 157350921
N-[[3-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142987396
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(furan-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 129070942
3-(4-amino-3-fluorophenyl)-5-(nitrosomethyl)-1,3-oxazolidin-2-one
CID 142879110
(5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one
CID 129071185
(5S)-3-[4-[4-(azidomethyl)phenyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
CID 58045372
(5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 59264706
(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
4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide
CID 158273364
5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one
CID 129071143

Frequently Asked Questions

What is the IUPAC name of fluoromethane;N'-[[3-[3-fluoro-4-(3-sulfinamoylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide?
The IUPAC name of fluoromethane;N'-[[3-[3-fluoro-4-(3-sulfinamoylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide (CID 142436836) is fluoromethane;N'-[[3-[3-fluoro-4-(3-sulfinamoylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide.
What is the SMILES notation for fluoromethane;N'-[[3-[3-fluoro-4-(3-sulfinamoylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide?
The canonical SMILES for fluoromethane;N'-[[3-[3-fluoro-4-(3-sulfinamoylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide is CF.N/C=N/CC1CN(c2ccc(-c3cccc(S(N)=O)c3)c(F)c2)C(=O)O1.
What is the InChIKey of fluoromethane;N'-[[3-[3-fluoro-4-(3-sulfinamoylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide?
The InChIKey is IWWJELDAEJQCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3S.CH3F/c18-16-7-12(22-9-13(8-21-10-19)25-17(22)23)4-5-15(16)11-2-1-3-14(6-11)26(20)24;1-2/h1-7,10,13H,8-9,20H2,(H2,19,21);1H3.
What are the key properties of fluoromethane;N'-[[3-[3-fluoro-4-(3-sulfinamoylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide?
fluoromethane;N'-[[3-[3-fluoro-4-(3-sulfinamoylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide has a molecular weight of 410.45 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;N'-[[3-[3-fluoro-4-(3-sulfinamoylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanimidamide is sourced from PubChem (CID 142436836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).