(5S)-3-[3,5-difluoro-4-(1,2,5-oxadiazepan-5-yl)phenyl]-5-[(hydrazinylmethylamino)methyl]-1,3-oxazolidin-2-one;methylidenehydrazine

C16H26F2N8O3 — CID 143785281

IUPAC(5S)-3-[3,5-difluoro-4-(1,2,5-oxadiazepan-5-yl)phenyl]-5-[(hydrazinylmethylamino)methyl]-1,3-oxazolidin-2-one;methylidenehydrazine
SMILESC=NN.NNCNC[C@H]1CN(c2cc(F)c(N3CCNOCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H22F2N6O3.CH4N2/c16-12-5-10(23-8-11(26-15(23)24)7-19-9-20-18)6-13(17)14(12)22-2-1-21-25-4-3-22;1-3-2/h5-6,11,19-21H,1-4,7-9,18H2;1-2H2/t11-;/m0./s1
InChIKeyGQWBPPOZSOEJPO-MERQFXBCSA-N
MW416.43 g/mol
LogP-0.80
Rot. Bonds6

About (5S)-3-[3,5-difluoro-4-(1,2,5-oxadiazepan-5-yl)phenyl]-5-[(hydrazinylmethylamino)methyl]-1,3-oxazolidin-2-one;methylidenehydrazine

(5S)-3-[3,5-difluoro-4-(1,2,5-oxadiazepan-5-yl)phenyl]-5-[(hydrazinylmethylamino)methyl]-1,3-oxazolidin-2-one;methylidenehydrazine (PubChem CID 143785281) has the molecular formula C16H26F2N8O3 and a molecular weight of 416.43 g/mol. Its IUPAC name is (5S)-3-[3,5-difluoro-4-(1,2,5-oxadiazepan-5-yl)phenyl]-5-[(hydrazinylmethylamino)methyl]-1,3-oxazolidin-2-one;methylidenehydrazine.

Molecular Properties

Compound Name(5S)-3-[3,5-difluoro-4-(1,2,5-oxadiazepan-5-yl)phenyl]-5-[(hydrazinylmethylamino)methyl]-1,3-oxazolidin-2-one;methylidenehydrazine
PubChem CID143785281
Molecular FormulaC16H26F2N8O3
Molecular Weight416.43 g/mol
Exact Mass416.21
IUPAC Name(5S)-3-[3,5-difluoro-4-(1,2,5-oxadiazepan-5-yl)phenyl]-5-[(hydrazinylmethylamino)methyl]-1,3-oxazolidin-2-one;methylidenehydrazine
SMILESC=NN.NNCNC[C@H]1CN(c2cc(F)c(N3CCNOCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H22F2N6O3.CH4N2/c16-12-5-10(23-8-11(26-15(23)24)7-19-9-20-18)6-13(17)14(12)22-2-1-21-25-4-3-22;1-3-2/h5-6,11,19-21H,1-4,7-9,18H2;1-2H2/t11-;/m0./s1
InChIKeyGQWBPPOZSOEJPO-MERQFXBCSA-N
XLogP-0.80
TPSA142.50 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 5-0.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(5S)-3-[3,5-difluoro-4-(1,2,5-oxadiazepan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate
CID 158499557
(5R)-3-[3,5-difluoro-4-(1,2,5-oxadiazepan-5-yl)phenyl]-5-(pyridin-2-ylsulfanylmethyl)-1,3-oxazolidin-2-one
CID 59531554
O-methyl N-[[(5S)-3-[3,5-difluoro-4-(4-formylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate
CID 18713317
N-[[3-[3,5-difluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 22181752
N-[[(5S)-3-[4-(4-aminopiperidin-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68943046
N-[[3-[4-(4-ethylsulfonylpiperazin-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide
CID 22140975
N-[[3-[4-(4-acetylpiperazin-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methylpropanethioamide
CID 18619390
(5R)-3-[3,5-difluoro-4-[2-(2-hydroxyethylsulfonyl)-1,2,5-oxadiazepan-5-yl]phenyl]-5-[(hydroxyamino)methyl]-1,3-oxazolidin-2-one
CID 90243679
methane;O-methyl N-[[(5S)-3-[4-[1-(2-aminoacetyl)-1,2,5-triazepan-5-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate
CID 158038050
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazine-1-carboxylic acid;4-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazine-1-carboxylic acid;methane;propane-2-thione
CID 159796779
N-[[(5S)-3-(3,5-difluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methanol
CID 166748430
3-[3,5-difluoro-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one
CID 143999318

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[3,5-difluoro-4-(1,2,5-oxadiazepan-5-yl)phenyl]-5-[(hydrazinylmethylamino)methyl]-1,3-oxazolidin-2-one;methylidenehydrazine?
The IUPAC name of (5S)-3-[3,5-difluoro-4-(1,2,5-oxadiazepan-5-yl)phenyl]-5-[(hydrazinylmethylamino)methyl]-1,3-oxazolidin-2-one;methylidenehydrazine (CID 143785281) is (5S)-3-[3,5-difluoro-4-(1,2,5-oxadiazepan-5-yl)phenyl]-5-[(hydrazinylmethylamino)methyl]-1,3-oxazolidin-2-one;methylidenehydrazine.
What is the SMILES notation for (5S)-3-[3,5-difluoro-4-(1,2,5-oxadiazepan-5-yl)phenyl]-5-[(hydrazinylmethylamino)methyl]-1,3-oxazolidin-2-one;methylidenehydrazine?
The canonical SMILES for (5S)-3-[3,5-difluoro-4-(1,2,5-oxadiazepan-5-yl)phenyl]-5-[(hydrazinylmethylamino)methyl]-1,3-oxazolidin-2-one;methylidenehydrazine is C=NN.NNCNC[C@H]1CN(c2cc(F)c(N3CCNOCC3)c(F)c2)C(=O)O1.
What is the InChIKey of (5S)-3-[3,5-difluoro-4-(1,2,5-oxadiazepan-5-yl)phenyl]-5-[(hydrazinylmethylamino)methyl]-1,3-oxazolidin-2-one;methylidenehydrazine?
The InChIKey is GQWBPPOZSOEJPO-MERQFXBCSA-N. The full InChI is InChI=1S/C15H22F2N6O3.CH4N2/c16-12-5-10(23-8-11(26-15(23)24)7-19-9-20-18)6-13(17)14(12)22-2-1-21-25-4-3-22;1-3-2/h5-6,11,19-21H,1-4,7-9,18H2;1-2H2/t11-;/m0./s1.
What are the key properties of (5S)-3-[3,5-difluoro-4-(1,2,5-oxadiazepan-5-yl)phenyl]-5-[(hydrazinylmethylamino)methyl]-1,3-oxazolidin-2-one;methylidenehydrazine?
(5S)-3-[3,5-difluoro-4-(1,2,5-oxadiazepan-5-yl)phenyl]-5-[(hydrazinylmethylamino)methyl]-1,3-oxazolidin-2-one;methylidenehydrazine has a molecular weight of 416.43 g/mol, XLogP of -0.80, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[3,5-difluoro-4-(1,2,5-oxadiazepan-5-yl)phenyl]-5-[(hydrazinylmethylamino)methyl]-1,3-oxazolidin-2-one;methylidenehydrazine is sourced from PubChem (CID 143785281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).