(5R)-5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-[4-[[(Z)-2-aminoethenyl]amino]-3-fluorophenyl]-1,3-oxazolidin-2-one

C14H19FN6O2 — CID 143043556

IUPAC(5R)-5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-[4-[[(Z)-2-aminoethenyl]amino]-3-fluorophenyl]-1,3-oxazolidin-2-one
SMILESN/C=C\Nc1ccc(N2C[C@H](CN(N)/C=C\N)OC2=O)cc1F
InChIInChI=1S/C14H19FN6O2/c15-12-7-10(1-2-13(12)19-5-3-16)21-9-11(23-14(21)22)8-20(18)6-4-17/h1-7,11,19H,8-9,16-18H2/b5-3-,6-4-/t11-/m0/s1
InChIKeySCJQGSRQIZEVGJ-NKXCFSKISA-N
MW322.34 g/mol
LogP0.60
Rot. Bonds6

About (5R)-5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-[4-[[(Z)-2-aminoethenyl]amino]-3-fluorophenyl]-1,3-oxazolidin-2-one

(5R)-5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-[4-[[(Z)-2-aminoethenyl]amino]-3-fluorophenyl]-1,3-oxazolidin-2-one (PubChem CID 143043556) has the molecular formula C14H19FN6O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is (5R)-5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-[4-[[(Z)-2-aminoethenyl]amino]-3-fluorophenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-[4-[[(Z)-2-aminoethenyl]amino]-3-fluorophenyl]-1,3-oxazolidin-2-one
PubChem CID143043556
Molecular FormulaC14H19FN6O2
Molecular Weight322.34 g/mol
Exact Mass322.16
IUPAC Name(5R)-5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-[4-[[(Z)-2-aminoethenyl]amino]-3-fluorophenyl]-1,3-oxazolidin-2-one
SMILESN/C=C\Nc1ccc(N2C[C@H](CN(N)/C=C\N)OC2=O)cc1F
InChIInChI=1S/C14H19FN6O2/c15-12-7-10(1-2-13(12)19-5-3-16)21-9-11(23-14(21)22)8-20(18)6-4-17/h1-7,11,19H,8-9,16-18H2/b5-3-,6-4-/t11-/m0/s1
InChIKeySCJQGSRQIZEVGJ-NKXCFSKISA-N
XLogP0.60
TPSA122.87 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-(3,5-difluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethane
CID 142997061
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
(5S)-5-[2-[[(Z)-2-aminoethenyl]amino]ethyl]-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one;azane
CID 143043570
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
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(piperidin-4-ylamino)phenyl]-1,3-oxazolidin-2-one
CID 141181958
(5S)-3-[3-fluoro-4-(2-hydrazinylethylamino)phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one
CID 58361744
5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-[3-fluoro-4-(1,4-thiazepan-4-yl)phenyl]-1,3-oxazolidin-2-one
CID 126496109
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
(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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-[4-[[(Z)-2-aminoethenyl]amino]-3-fluorophenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-[4-[[(Z)-2-aminoethenyl]amino]-3-fluorophenyl]-1,3-oxazolidin-2-one (CID 143043556) is (5R)-5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-[4-[[(Z)-2-aminoethenyl]amino]-3-fluorophenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-[4-[[(Z)-2-aminoethenyl]amino]-3-fluorophenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-[4-[[(Z)-2-aminoethenyl]amino]-3-fluorophenyl]-1,3-oxazolidin-2-one is N/C=C\Nc1ccc(N2C[C@H](CN(N)/C=C\N)OC2=O)cc1F.
What is the InChIKey of (5R)-5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-[4-[[(Z)-2-aminoethenyl]amino]-3-fluorophenyl]-1,3-oxazolidin-2-one?
The InChIKey is SCJQGSRQIZEVGJ-NKXCFSKISA-N. The full InChI is InChI=1S/C14H19FN6O2/c15-12-7-10(1-2-13(12)19-5-3-16)21-9-11(23-14(21)22)8-20(18)6-4-17/h1-7,11,19H,8-9,16-18H2/b5-3-,6-4-/t11-/m0/s1.
What are the key properties of (5R)-5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-[4-[[(Z)-2-aminoethenyl]amino]-3-fluorophenyl]-1,3-oxazolidin-2-one?
(5R)-5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-[4-[[(Z)-2-aminoethenyl]amino]-3-fluorophenyl]-1,3-oxazolidin-2-one has a molecular weight of 322.34 g/mol, XLogP of 0.60, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-3-[4-[[(Z)-2-aminoethenyl]amino]-3-fluorophenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 143043556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).