(5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-hydroxy-3-(pyridin-2-ylamino)propoxy]phenyl]-1,3-oxazolidin-2-one

C18H21FN4O4 — CID 86577398

IUPAC(5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-hydroxy-3-(pyridin-2-ylamino)propoxy]phenyl]-1,3-oxazolidin-2-one
SMILESNC[C@H]1CN(c2ccc(OCC(O)CNc3ccccn3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H21FN4O4/c19-15-7-12(23-10-14(8-20)27-18(23)25)4-5-16(15)26-11-13(24)9-22-17-3-1-2-6-21-17/h1-7,13-14,24H,8-11,20H2,(H,21,22)/t13?,14-/m0/s1
InChIKeyFKJSLXDNBUKLJR-KZUDCZAMSA-N
MW376.39 g/mol
LogP1.36
Rot. Bonds8

About (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-hydroxy-3-(pyridin-2-ylamino)propoxy]phenyl]-1,3-oxazolidin-2-one

(5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-hydroxy-3-(pyridin-2-ylamino)propoxy]phenyl]-1,3-oxazolidin-2-one (PubChem CID 86577398) has the molecular formula C18H21FN4O4 and a molecular weight of 376.39 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-hydroxy-3-(pyridin-2-ylamino)propoxy]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-hydroxy-3-(pyridin-2-ylamino)propoxy]phenyl]-1,3-oxazolidin-2-one
PubChem CID86577398
Molecular FormulaC18H21FN4O4
Molecular Weight376.39 g/mol
Exact Mass376.15
IUPAC Name(5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-hydroxy-3-(pyridin-2-ylamino)propoxy]phenyl]-1,3-oxazolidin-2-one
SMILESNC[C@H]1CN(c2ccc(OCC(O)CNc3ccccn3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H21FN4O4/c19-15-7-12(23-10-14(8-20)27-18(23)25)4-5-16(15)26-11-13(24)9-22-17-3-1-2-6-21-17/h1-7,13-14,24H,8-11,20H2,(H,21,22)/t13?,14-/m0/s1
InChIKeyFKJSLXDNBUKLJR-KZUDCZAMSA-N
XLogP1.36
TPSA109.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[3-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]-2-hydroxypropyl]amino]benzonitrile
CID 86577352
actinium;[(5R)-3-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
CID 86577446
(5R)-5-(aminomethyl)-3-[3-fluoro-4-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]-1,3-oxazolidin-2-one
CID 86577499
(5S)-5-(aminomethyl)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 44607680
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
(5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one
CID 129071185
(5S)-5-(aminomethyl)-3-[4-(benzotriazol-2-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 11544412
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-(1,3-thiazol-2-yl)benzamide
CID 59043586
5-(aminomethyl)-3-(3-fluoro-4-pyrrol-1-ylphenyl)-1,3-oxazolidin-2-one
CID 69406859
5-(aminomethyl)-3-[3-fluoro-4-(2-methoxyethylamino)phenyl]-1,3-oxazolidin-2-one
CID 123193318
[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]methyl-phenylcarbamic acid
CID 69397899

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-hydroxy-3-(pyridin-2-ylamino)propoxy]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-hydroxy-3-(pyridin-2-ylamino)propoxy]phenyl]-1,3-oxazolidin-2-one (CID 86577398) is (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-hydroxy-3-(pyridin-2-ylamino)propoxy]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-hydroxy-3-(pyridin-2-ylamino)propoxy]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-hydroxy-3-(pyridin-2-ylamino)propoxy]phenyl]-1,3-oxazolidin-2-one is NC[C@H]1CN(c2ccc(OCC(O)CNc3ccccn3)c(F)c2)C(=O)O1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-hydroxy-3-(pyridin-2-ylamino)propoxy]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is FKJSLXDNBUKLJR-KZUDCZAMSA-N. The full InChI is InChI=1S/C18H21FN4O4/c19-15-7-12(23-10-14(8-20)27-18(23)25)4-5-16(15)26-11-13(24)9-22-17-3-1-2-6-21-17/h1-7,13-14,24H,8-11,20H2,(H,21,22)/t13?,14-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-hydroxy-3-(pyridin-2-ylamino)propoxy]phenyl]-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-hydroxy-3-(pyridin-2-ylamino)propoxy]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 376.39 g/mol, XLogP of 1.36, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-hydroxy-3-(pyridin-2-ylamino)propoxy]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 86577398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).