N-[[3-[4-[4-[(carbamoylhydrazinylidene)methyl]-3-methylphenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C21H22FN5O4 — CID 175394497

IUPACN-[[3-[4-[4-[(carbamoylhydrazinylidene)methyl]-3-methylphenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(C=NNC(N)=O)c(C)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H22FN5O4/c1-12-7-14(3-4-15(12)9-25-26-20(23)29)18-6-5-16(8-19(18)22)27-11-17(31-21(27)30)10-24-13(2)28/h3-9,17H,10-11H2,1-2H3,(H,24,28)(H3,23,26,29)
InChIKeyWKGKCLQMIQAMOK-UHFFFAOYSA-N
MW427.44 g/mol
LogP2.26
Rot. Bonds6

About N-[[3-[4-[4-[(carbamoylhydrazinylidene)methyl]-3-methylphenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[4-[4-[(carbamoylhydrazinylidene)methyl]-3-methylphenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 175394497) has the molecular formula C21H22FN5O4 and a molecular weight of 427.44 g/mol. Its IUPAC name is N-[[3-[4-[4-[(carbamoylhydrazinylidene)methyl]-3-methylphenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-[4-[(carbamoylhydrazinylidene)methyl]-3-methylphenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID175394497
Molecular FormulaC21H22FN5O4
Molecular Weight427.44 g/mol
Exact Mass427.17
IUPAC NameN-[[3-[4-[4-[(carbamoylhydrazinylidene)methyl]-3-methylphenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(C=NNC(N)=O)c(C)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H22FN5O4/c1-12-7-14(3-4-15(12)9-25-26-20(23)29)18-6-5-16(8-19(18)22)27-11-17(31-21(27)30)10-24-13(2)28/h3-9,17H,10-11H2,1-2H3,(H,24,28)(H3,23,26,29)
InChIKeyWKGKCLQMIQAMOK-UHFFFAOYSA-N
XLogP2.26
TPSA126.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[(5S)-3-[4-[4-[(carbamothioylhydrazinylidene)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 175394534
N-[[(5S)-3-[4-[5-[(carbamoylhydrazinylidene)methyl]-2-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 167435308
N-[[3-[3-fluoro-4-[4-(hydroxyiminomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173196227
N-[[3-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142987396
strontium;N-[[(5S)-3-[3-fluoro-4-(4-methanidylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;hydride
CID 173478166
N-[[(5S)-3-[3-fluoro-4-[3-hydroxy-4-[(E)-morpholin-4-yliminomethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 155541515
N-[[(5R)-3-[4-[4-[(5S)-5-[(diaminomethylideneamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10345940
N-[[3-[4-(4-carbamimidoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69098860
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[3-[4-(4-cyanophenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69098886
N-[[3-[3-fluoro-4-(4-isocyanophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404253
N-[[(5S)-3-[4-[4-[[(Z)-3-amino-2-hydrazinylprop-2-enyl]amino]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 155016295

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[4-[(carbamoylhydrazinylidene)methyl]-3-methylphenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-[4-[(carbamoylhydrazinylidene)methyl]-3-methylphenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 175394497) is N-[[3-[4-[4-[(carbamoylhydrazinylidene)methyl]-3-methylphenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-[4-[(carbamoylhydrazinylidene)methyl]-3-methylphenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-[4-[(carbamoylhydrazinylidene)methyl]-3-methylphenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-c3ccc(C=NNC(N)=O)c(C)c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[4-[4-[(carbamoylhydrazinylidene)methyl]-3-methylphenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is WKGKCLQMIQAMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O4/c1-12-7-14(3-4-15(12)9-25-26-20(23)29)18-6-5-16(8-19(18)22)27-11-17(31-21(27)30)10-24-13(2)28/h3-9,17H,10-11H2,1-2H3,(H,24,28)(H3,23,26,29).
What are the key properties of N-[[3-[4-[4-[(carbamoylhydrazinylidene)methyl]-3-methylphenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[4-[4-[(carbamoylhydrazinylidene)methyl]-3-methylphenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 427.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[4-[(carbamoylhydrazinylidene)methyl]-3-methylphenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 175394497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).