(Z)-3-hydroxy-N'-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]but-2-enimidamide;molecular hydrogen

C19H21F3N4O4 — CID 143760547

IUPAC(Z)-3-hydroxy-N'-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]but-2-enimidamide;molecular hydrogen
SMILESC/C(O)=C/C(N)=N/CC1CN(c2cc(F)c(N3C=CC(=O)CC3)c(F)c2F)C(=O)O1.[H][H]
InChIInChI=1S/C19H19F3N4O4.H2/c1-10(27)6-15(23)24-8-12-9-26(19(29)30-12)14-7-13(20)18(17(22)16(14)21)25-4-2-11(28)3-5-25;/h2,4,6-7,12,27H,3,5,8-9H2,1H3,(H2,23,24);1H/b10-6-;
InChIKeyDEHXLYPEQNRCRI-OTUCAILMSA-N
MW426.40 g/mol
LogP2.79
Rot. Bonds5

About (Z)-3-hydroxy-N'-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]but-2-enimidamide;molecular hydrogen

(Z)-3-hydroxy-N'-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]but-2-enimidamide;molecular hydrogen (PubChem CID 143760547) has the molecular formula C19H21F3N4O4 and a molecular weight of 426.40 g/mol. Its IUPAC name is (Z)-3-hydroxy-N'-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]but-2-enimidamide;molecular hydrogen.

Molecular Properties

Compound Name(Z)-3-hydroxy-N'-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]but-2-enimidamide;molecular hydrogen
PubChem CID143760547
Molecular FormulaC19H21F3N4O4
Molecular Weight426.40 g/mol
Exact Mass426.15
IUPAC Name(Z)-3-hydroxy-N'-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]but-2-enimidamide;molecular hydrogen
SMILESC/C(O)=C/C(N)=N/CC1CN(c2cc(F)c(N3C=CC(=O)CC3)c(F)c2F)C(=O)O1.[H][H]
InChIInChI=1S/C19H19F3N4O4.H2/c1-10(27)6-15(23)24-8-12-9-26(19(29)30-12)14-7-13(20)18(17(22)16(14)21)25-4-2-11(28)3-5-25;/h2,4,6-7,12,27H,3,5,8-9H2,1H3,(H2,23,24);1H/b10-6-;
InChIKeyDEHXLYPEQNRCRI-OTUCAILMSA-N
XLogP2.79
TPSA108.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-oxo-N'-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]butanimidamide
CID 91425986
methyl N'-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]carbamimidate
CID 163756480
(5R)-5-(nitrosomethyl)-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 118336136
acetyloxy-N-(1,2-oxazol-3-yl)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid
CID 118335842
methylcarbamoyloxy-N-(1,2-oxazol-3-yl)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid
CID 123679482
3-[2,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 70866084
N-[[3-[3,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)-2-prop-2-enylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 91024308
N-[[(5S)-3-[2,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25184391
N-[(E)-C-ethenyl-N-methoxycarbonimidoyl]-(morpholine-4-carbonyloxy)-N-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]phosphonamidic acid
CID 144908609
(5S)-3-[3-fluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-[(methylideneamino)methyl]-1,3-oxazolidin-2-one
CID 163506167
(5R)-5-(azidomethyl)-3-[3-fluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 58697735
(5S)-3-[2,3-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-[2-(2H-pyrrol-5-yl)ethyl]-1,3-oxazolidin-2-one
CID 158892480

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-N'-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]but-2-enimidamide;molecular hydrogen?
The IUPAC name of (Z)-3-hydroxy-N'-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]but-2-enimidamide;molecular hydrogen (CID 143760547) is (Z)-3-hydroxy-N'-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]but-2-enimidamide;molecular hydrogen.
What is the SMILES notation for (Z)-3-hydroxy-N'-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]but-2-enimidamide;molecular hydrogen?
The canonical SMILES for (Z)-3-hydroxy-N'-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]but-2-enimidamide;molecular hydrogen is C/C(O)=C/C(N)=N/CC1CN(c2cc(F)c(N3C=CC(=O)CC3)c(F)c2F)C(=O)O1.[H][H].
What is the InChIKey of (Z)-3-hydroxy-N'-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]but-2-enimidamide;molecular hydrogen?
The InChIKey is DEHXLYPEQNRCRI-OTUCAILMSA-N. The full InChI is InChI=1S/C19H19F3N4O4.H2/c1-10(27)6-15(23)24-8-12-9-26(19(29)30-12)14-7-13(20)18(17(22)16(14)21)25-4-2-11(28)3-5-25;/h2,4,6-7,12,27H,3,5,8-9H2,1H3,(H2,23,24);1H/b10-6-;.
What are the key properties of (Z)-3-hydroxy-N'-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]but-2-enimidamide;molecular hydrogen?
(Z)-3-hydroxy-N'-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]but-2-enimidamide;molecular hydrogen has a molecular weight of 426.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-N'-[[2-oxo-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]but-2-enimidamide;molecular hydrogen is sourced from PubChem (CID 143760547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).