5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-(3,5-difluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethane

C14H20F2N4O3 — CID 142997061

IUPAC5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-(3,5-difluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethane
SMILESCC.N/C=C\N(N)CC1CN(c2cc(F)c(O)c(F)c2)C(=O)O1
InChIInChI=1S/C12H14F2N4O3.C2H6/c13-9-3-7(4-10(14)11(9)19)18-6-8(21-12(18)20)5-17(16)2-1-15;1-2/h1-4,8,19H,5-6,15-16H2;1-2H3/b2-1-;
InChIKeyXVPWGCDODILTAO-ODZAUARKSA-N
MW330.34 g/mol
LogP1.63
Rot. Bonds4

About 5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-(3,5-difluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethane

5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-(3,5-difluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethane (PubChem CID 142997061) has the molecular formula C14H20F2N4O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-(3,5-difluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethane.

Molecular Properties

Compound Name5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-(3,5-difluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethane
PubChem CID142997061
Molecular FormulaC14H20F2N4O3
Molecular Weight330.34 g/mol
Exact Mass330.15
IUPAC Name5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-(3,5-difluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethane
SMILESCC.N/C=C\N(N)CC1CN(c2cc(F)c(O)c(F)c2)C(=O)O1
InChIInChI=1S/C12H14F2N4O3.C2H6/c13-9-3-7(4-10(14)11(9)19)18-6-8(21-12(18)20)5-17(16)2-1-15;1-2/h1-4,8,19H,5-6,15-16H2;1-2H3/b2-1-;
InChIKeyXVPWGCDODILTAO-ODZAUARKSA-N
XLogP1.63
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-[4-[[(Z)-2-aminoethenyl]amino]-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 143043556
6-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-4-[4-[4-[5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]morpholin-2-one
CID 142219312
1-[4-[(5R)-5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrrole-3-carbaldehyde
CID 143043563
4-[4-[5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbaldehyde;2-[ethyl(methyl)amino]ethanol
CID 142093051
(3-fluorophenyl) 5-[4-[(5R)-5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-1,2,5-triazepane-1-carboxylate
CID 143785336
tert-butyl (1R,5S)-6-[4-[4-[(5R)-5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 152801322
4-[4-[5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-5,6-dihydro-1,2,4-triazine-1-carbaldehyde
CID 143963436
3-[3,5-difluoro-4-(1-hydroxythian-1-ium-4-yl)phenyl]-5-[[(ethyldiazenyl)-methylamino]methyl]-1,3-oxazolidin-2-one
CID 142276562
4-[4-[5-[[amino-[(Z)-2-amino-4-(methylamino)but-1-enyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzonitrile;ethane;propane
CID 142879279
4-[4-[5-[[amino-[(Z)-2-amino-4-(methylamino)but-1-enyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzonitrile
CID 142879280
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
3-[3,5-difluoro-4-(methoxymethoxy)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 68637564

Frequently Asked Questions

What is the IUPAC name of 5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-(3,5-difluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethane?
The IUPAC name of 5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-(3,5-difluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethane (CID 142997061) is 5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-(3,5-difluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethane.
What is the SMILES notation for 5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-(3,5-difluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethane?
The canonical SMILES for 5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-(3,5-difluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethane is CC.N/C=C\N(N)CC1CN(c2cc(F)c(O)c(F)c2)C(=O)O1.
What is the InChIKey of 5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-(3,5-difluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethane?
The InChIKey is XVPWGCDODILTAO-ODZAUARKSA-N. The full InChI is InChI=1S/C12H14F2N4O3.C2H6/c13-9-3-7(4-10(14)11(9)19)18-6-8(21-12(18)20)5-17(16)2-1-15;1-2/h1-4,8,19H,5-6,15-16H2;1-2H3/b2-1-;.
What are the key properties of 5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-(3,5-difluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethane?
5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-(3,5-difluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethane has a molecular weight of 330.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-(3,5-difluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethane is sourced from PubChem (CID 142997061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).