3-[3-[(1S)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one

C19H21FN2O3 — CID 97107841

IUPAC3-[3-[(1S)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESC[C@H](NCc1ccc(F)c(CO)c1)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C19H21FN2O3/c1-13(21-11-14-5-6-18(20)16(9-14)12-23)15-3-2-4-17(10-15)22-7-8-25-19(22)24/h2-6,9-10,13,21,23H,7-8,11-12H2,1H3/t13-/m0/s1
InChIKeyJOSZVRFJNFDTRT-ZDUSSCGKSA-N
MW344.39 g/mol
LogP3.13
Rot. Bonds6

About 3-[3-[(1S)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one

3-[3-[(1S)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 97107841) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-[3-[(1S)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[(1S)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID97107841
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name3-[3-[(1S)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESC[C@H](NCc1ccc(F)c(CO)c1)c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C19H21FN2O3/c1-13(21-11-14-5-6-18(20)16(9-14)12-23)15-3-2-4-17(10-15)22-7-8-25-19(22)24/h2-6,9-10,13,21,23H,7-8,11-12H2,1H3/t13-/m0/s1
InChIKeyJOSZVRFJNFDTRT-ZDUSSCGKSA-N
XLogP3.13
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-[(1S)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[3-[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 86879732
3-[3-[1-(propylamino)ethyl]phenyl]-1,3-oxazolidin-2-one
CID 65295167
3-[3-[(1S)-1-[(1-tert-butylpyrazol-4-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 95244208
3-[3-[(1S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 97333757
3-[3-[(1S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 97333753
1-[(2-fluorophenyl)methyl]-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea
CID 71940501
3-[3-[(1S)-1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 97230406
cis-(1R,2S)-2-(2,6-difluorophenyl)-N-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 99251694
1-(2-methylpropyl)-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea
CID 60562162
1-[3-[(1R)-1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)ethyl]phenyl]pyrrolidin-2-one
CID 95149643
N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-pyridin-3-ylpropanamide
CID 48822167
4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-2-fluorobenzoic acid
CID 106700279

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1S)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[(1S)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one (CID 97107841) is 3-[3-[(1S)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[(1S)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[(1S)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one is C[C@H](NCc1ccc(F)c(CO)c1)c1cccc(N2CCOC2=O)c1.
What is the InChIKey of 3-[3-[(1S)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is JOSZVRFJNFDTRT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-13(21-11-14-5-6-18(20)16(9-14)12-23)15-3-2-4-17(10-15)22-7-8-25-19(22)24/h2-6,9-10,13,21,23H,7-8,11-12H2,1H3/t13-/m0/s1.
What are the key properties of 3-[3-[(1S)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?
3-[3-[(1S)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 344.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1S)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 97107841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).