(5S)-3-[3,5-difluoro-4-(4-oxoimidazolidin-1-yl)phenyl]-5-[(methylideneamino)methyl]-1,3-oxazolidin-2-one

C14H14F2N4O3 — CID 146889292

IUPAC(5S)-3-[3,5-difluoro-4-(4-oxoimidazolidin-1-yl)phenyl]-5-[(methylideneamino)methyl]-1,3-oxazolidin-2-one
SMILESC=NC[C@H]1CN(c2cc(F)c(N3CNC(=O)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C14H14F2N4O3/c1-17-4-9-5-20(14(22)23-9)8-2-10(15)13(11(16)3-8)19-6-12(21)18-7-19/h2-3,9H,1,4-7H2,(H,18,21)/t9-/m0/s1
InChIKeySYUHZEMQZIWOHO-VIFPVBQESA-N
MW324.29 g/mol
LogP0.88
Rot. Bonds4

About (5S)-3-[3,5-difluoro-4-(4-oxoimidazolidin-1-yl)phenyl]-5-[(methylideneamino)methyl]-1,3-oxazolidin-2-one

(5S)-3-[3,5-difluoro-4-(4-oxoimidazolidin-1-yl)phenyl]-5-[(methylideneamino)methyl]-1,3-oxazolidin-2-one (PubChem CID 146889292) has the molecular formula C14H14F2N4O3 and a molecular weight of 324.29 g/mol. Its IUPAC name is (5S)-3-[3,5-difluoro-4-(4-oxoimidazolidin-1-yl)phenyl]-5-[(methylideneamino)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-[3,5-difluoro-4-(4-oxoimidazolidin-1-yl)phenyl]-5-[(methylideneamino)methyl]-1,3-oxazolidin-2-one
PubChem CID146889292
Molecular FormulaC14H14F2N4O3
Molecular Weight324.29 g/mol
Exact Mass324.10
IUPAC Name(5S)-3-[3,5-difluoro-4-(4-oxoimidazolidin-1-yl)phenyl]-5-[(methylideneamino)methyl]-1,3-oxazolidin-2-one
SMILESC=NC[C@H]1CN(c2cc(F)c(N3CNC(=O)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C14H14F2N4O3/c1-17-4-9-5-20(14(22)23-9)8-2-10(15)13(11(16)3-8)19-6-12(21)18-7-19/h2-3,9H,1,4-7H2,(H,18,21)/t9-/m0/s1
InChIKeySYUHZEMQZIWOHO-VIFPVBQESA-N
XLogP0.88
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

O-ethyl N-[[3-[3,5-difluoro-4-(4-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate;O-ethyl N-[[(5R)-3-[3,5-difluoro-4-(4-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate
CID 161051559
O-propyl N-[[(5R)-3-[3,5-difluoro-4-(4-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate
CID 10364457
N-[[(5S)-3-[3-fluoro-4-(4-oxoimidazolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 58781031
(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-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one
CID 123580474
(5S)-5-(aminomethyl)-3-[3,5-difluoro-4-(7-oxo-5-azaspiro[2.4]heptan-5-yl)phenyl]-1,3-oxazolidin-2-one
CID 70908944
[(5S)-3-[3,5-difluoro-4-(3-methoxyiminoazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid
CID 87806508
3-(4-amino-3-fluorophenyl)-5-(nitrosomethyl)-1,3-oxazolidin-2-one
CID 142879110
actinium;[3-[3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
CID 22943605
(5R)-5-(aminomethyl)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one
CID 68878196
5-(azidomethyl)-3-[3,5-difluoro-4-(2-thia-7-azabicyclo[2.2.1]heptan-7-yl)phenyl]-1,3-oxazolidin-2-one
CID 166925762
(5R)-5-(azidomethyl)-3-[4-[4-(1,1-dioxothietan-3-yl)piperidin-1-yl]-3,5-difluorophenyl]-1,3-oxazolidin-2-one
CID 146310344

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[3,5-difluoro-4-(4-oxoimidazolidin-1-yl)phenyl]-5-[(methylideneamino)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-[3,5-difluoro-4-(4-oxoimidazolidin-1-yl)phenyl]-5-[(methylideneamino)methyl]-1,3-oxazolidin-2-one (CID 146889292) is (5S)-3-[3,5-difluoro-4-(4-oxoimidazolidin-1-yl)phenyl]-5-[(methylideneamino)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-[3,5-difluoro-4-(4-oxoimidazolidin-1-yl)phenyl]-5-[(methylideneamino)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-[3,5-difluoro-4-(4-oxoimidazolidin-1-yl)phenyl]-5-[(methylideneamino)methyl]-1,3-oxazolidin-2-one is C=NC[C@H]1CN(c2cc(F)c(N3CNC(=O)C3)c(F)c2)C(=O)O1.
What is the InChIKey of (5S)-3-[3,5-difluoro-4-(4-oxoimidazolidin-1-yl)phenyl]-5-[(methylideneamino)methyl]-1,3-oxazolidin-2-one?
The InChIKey is SYUHZEMQZIWOHO-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14F2N4O3/c1-17-4-9-5-20(14(22)23-9)8-2-10(15)13(11(16)3-8)19-6-12(21)18-7-19/h2-3,9H,1,4-7H2,(H,18,21)/t9-/m0/s1.
What are the key properties of (5S)-3-[3,5-difluoro-4-(4-oxoimidazolidin-1-yl)phenyl]-5-[(methylideneamino)methyl]-1,3-oxazolidin-2-one?
(5S)-3-[3,5-difluoro-4-(4-oxoimidazolidin-1-yl)phenyl]-5-[(methylideneamino)methyl]-1,3-oxazolidin-2-one has a molecular weight of 324.29 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[3,5-difluoro-4-(4-oxoimidazolidin-1-yl)phenyl]-5-[(methylideneamino)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 146889292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).