4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide

C14H13FN4O3S — CID 59043586

IUPAC4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide
SMILESNC[C@H]1CN(c2ccc(C(=O)Nc3nccs3)c(F)c2)C(=O)O1
InChIInChI=1S/C14H13FN4O3S/c15-11-5-8(19-7-9(6-16)22-14(19)21)1-2-10(11)12(20)18-13-17-3-4-23-13/h1-5,9H,6-7,16H2,(H,17,18,20)/t9-/m0/s1
InChIKeyZIJMPASHVDIWOJ-VIFPVBQESA-N
MW336.35 g/mol
LogP1.82
Rot. Bonds4

About 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide

4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 59043586) has the molecular formula C14H13FN4O3S and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide
PubChem CID59043586
Molecular FormulaC14H13FN4O3S
Molecular Weight336.35 g/mol
Exact Mass336.07
IUPAC Name4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide
SMILESNC[C@H]1CN(c2ccc(C(=O)Nc3nccs3)c(F)c2)C(=O)O1
InChIInChI=1S/C14H13FN4O3S/c15-11-5-8(19-7-9(6-16)22-14(19)21)1-2-10(11)12(20)18-13-17-3-4-23-13/h1-5,9H,6-7,16H2,(H,17,18,20)/t9-/m0/s1
InChIKeyZIJMPASHVDIWOJ-VIFPVBQESA-N
XLogP1.82
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide
CID 22966198
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 59043630
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
2-fluoro-4-[(5S)-2-oxo-5-(2-oxopropyl)-1,3-oxazolidin-3-yl]benzohydrazide
CID 59905865
actinium;[(5S)-3-[3-fluoro-4-(1H-1,2,4-triazol-5-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
CID 59043670
(5S)-5-(aminomethyl)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 44607680
4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1H-imidazol-2-yl)benzamide
CID 3006436
(5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one
CID 129071185
actinium;[(5S)-3-[3-fluoro-4-(quinolin-3-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
CID 59043598
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzonitrile
CID 67538154
5-(aminomethyl)-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one
CID 85281072
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522

Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide (CID 59043586) is 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide is NC[C@H]1CN(c2ccc(C(=O)Nc3nccs3)c(F)c2)C(=O)O1.
What is the InChIKey of 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is ZIJMPASHVDIWOJ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13FN4O3S/c15-11-5-8(19-7-9(6-16)22-14(19)21)1-2-10(11)12(20)18-13-17-3-4-23-13/h1-5,9H,6-7,16H2,(H,17,18,20)/t9-/m0/s1.
What are the key properties of 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide?
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 336.35 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 59043586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).