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

C16H18FN5O3 — CID 18378819

IUPACN-[[3-[4-[4-(aminomethyl)imidazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-n3cnc(CN)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H18FN5O3/c1-10(23)19-6-13-8-22(16(24)25-13)12-2-3-15(14(17)4-12)21-7-11(5-18)20-9-21/h2-4,7,9,13H,5-6,8,18H2,1H3,(H,19,23)
InChIKeyVOFLAHOXYHYZJN-UHFFFAOYSA-N
MW347.35 g/mol
LogP0.93
Rot. Bonds5

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

N-[[3-[4-[4-(aminomethyl)imidazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 18378819) has the molecular formula C16H18FN5O3 and a molecular weight of 347.35 g/mol. Its IUPAC name is N-[[3-[4-[4-(aminomethyl)imidazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-[4-(aminomethyl)imidazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID18378819
Molecular FormulaC16H18FN5O3
Molecular Weight347.35 g/mol
Exact Mass347.14
IUPAC NameN-[[3-[4-[4-(aminomethyl)imidazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-n3cnc(CN)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H18FN5O3/c1-10(23)19-6-13-8-22(16(24)25-13)12-2-3-15(14(17)4-12)21-7-11(5-18)20-9-21/h2-4,7,9,13H,5-6,8,18H2,1H3,(H,19,23)
InChIKeyVOFLAHOXYHYZJN-UHFFFAOYSA-N
XLogP0.93
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[4-(aminomethyl)imidazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-[4-(aminomethyl)imidazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 18378819) is N-[[3-[4-[4-(aminomethyl)imidazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-[4-(aminomethyl)imidazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-[4-(aminomethyl)imidazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-n3cnc(CN)c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[4-[4-(aminomethyl)imidazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is VOFLAHOXYHYZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O3/c1-10(23)19-6-13-8-22(16(24)25-13)12-2-3-15(14(17)4-12)21-7-11(5-18)20-9-21/h2-4,7,9,13H,5-6,8,18H2,1H3,(H,19,23).
What are the key properties of N-[[3-[4-[4-(aminomethyl)imidazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[4-[4-(aminomethyl)imidazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 347.35 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[4-(aminomethyl)imidazol-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 18378819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).