5-(aminomethyl)-3-(5-fluoro-3-methoxyimino-4-methyl-1,4-benzoxazin-7-yl)-1,3-oxazolidin-2-one

C14H17FN4O4 — CID 173215446

IUPAC5-(aminomethyl)-3-(5-fluoro-3-methoxyimino-4-methyl-1,4-benzoxazin-7-yl)-1,3-oxazolidin-2-one
SMILESCON=C1COc2cc(N3CC(CN)OC3=O)cc(F)c2N1C
InChIInChI=1S/C14H17FN4O4/c1-18-12(17-21-2)7-22-11-4-8(3-10(15)13(11)18)19-6-9(5-16)23-14(19)20/h3-4,9H,5-7,16H2,1-2H3
InChIKeyTTWQRTQPSFAKBF-UHFFFAOYSA-N
MW324.31 g/mol
LogP0.90
Rot. Bonds3

About 5-(aminomethyl)-3-(5-fluoro-3-methoxyimino-4-methyl-1,4-benzoxazin-7-yl)-1,3-oxazolidin-2-one

5-(aminomethyl)-3-(5-fluoro-3-methoxyimino-4-methyl-1,4-benzoxazin-7-yl)-1,3-oxazolidin-2-one (PubChem CID 173215446) has the molecular formula C14H17FN4O4 and a molecular weight of 324.31 g/mol. Its IUPAC name is 5-(aminomethyl)-3-(5-fluoro-3-methoxyimino-4-methyl-1,4-benzoxazin-7-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-(5-fluoro-3-methoxyimino-4-methyl-1,4-benzoxazin-7-yl)-1,3-oxazolidin-2-one
PubChem CID173215446
Molecular FormulaC14H17FN4O4
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name5-(aminomethyl)-3-(5-fluoro-3-methoxyimino-4-methyl-1,4-benzoxazin-7-yl)-1,3-oxazolidin-2-one
SMILESCON=C1COc2cc(N3CC(CN)OC3=O)cc(F)c2N1C
InChIInChI=1S/C14H17FN4O4/c1-18-12(17-21-2)7-22-11-4-8(3-10(15)13(11)18)19-6-9(5-16)23-14(19)20/h3-4,9H,5-7,16H2,1-2H3
InChIKeyTTWQRTQPSFAKBF-UHFFFAOYSA-N
XLogP0.90
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(aminomethyl)-3-(5-fluoro-3-methoxyimino-4-methyl-1,4-benzoxazin-7-yl)-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-(aminomethyl)-3-[3,5-difluoro-4-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 67513467
(5R)-5-(aminomethyl)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one
CID 68878196
(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
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
5-(aminomethyl)-3-(3,3-difluoro-2-methoxyimino-1-methylindol-4-yl)-1,3-oxazolidin-2-one
CID 173214222
(5S)-5-(aminomethyl)-3-[3,5-difluoro-4-[4-(triazol-2-yl)piperidin-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 68940980
[(5S)-3-[3,5-difluoro-4-(3-methoxyiminoazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid
CID 87806508
(5S)-5-(aminomethyl)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 44607680
N-[[(5S)-3-[3-(2-fluoroethoxyimino)-4-methyl-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173214261
5-(aminomethyl)-3-(2,5-difluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 116838121
6-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 66736971
(5S)-5-(aminomethyl)-3-[3,5-difluoro-4-[2-(4-methylpiperazine-1-carbonyl)-1,2,5-oxadiazepan-5-yl]phenyl]-1,3-oxazolidin-2-one
CID 89067473

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-(5-fluoro-3-methoxyimino-4-methyl-1,4-benzoxazin-7-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-(5-fluoro-3-methoxyimino-4-methyl-1,4-benzoxazin-7-yl)-1,3-oxazolidin-2-one (CID 173215446) is 5-(aminomethyl)-3-(5-fluoro-3-methoxyimino-4-methyl-1,4-benzoxazin-7-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-(5-fluoro-3-methoxyimino-4-methyl-1,4-benzoxazin-7-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-(5-fluoro-3-methoxyimino-4-methyl-1,4-benzoxazin-7-yl)-1,3-oxazolidin-2-one is CON=C1COc2cc(N3CC(CN)OC3=O)cc(F)c2N1C.
What is the InChIKey of 5-(aminomethyl)-3-(5-fluoro-3-methoxyimino-4-methyl-1,4-benzoxazin-7-yl)-1,3-oxazolidin-2-one?
The InChIKey is TTWQRTQPSFAKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O4/c1-18-12(17-21-2)7-22-11-4-8(3-10(15)13(11)18)19-6-9(5-16)23-14(19)20/h3-4,9H,5-7,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-3-(5-fluoro-3-methoxyimino-4-methyl-1,4-benzoxazin-7-yl)-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-(5-fluoro-3-methoxyimino-4-methyl-1,4-benzoxazin-7-yl)-1,3-oxazolidin-2-one has a molecular weight of 324.31 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-(5-fluoro-3-methoxyimino-4-methyl-1,4-benzoxazin-7-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 173215446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).