5-(aminomethyl)-3-[3,5-difluoro-4-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-oxazolidin-2-one

C17H23F2N3O4 — CID 67513467

IUPAC5-(aminomethyl)-3-[3,5-difluoro-4-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-oxazolidin-2-one
SMILESCOCC1(O)CCN(c2c(F)cc(N3CC(CN)OC3=O)cc2F)CC1
InChIInChI=1S/C17H23F2N3O4/c1-25-10-17(24)2-4-21(5-3-17)15-13(18)6-11(7-14(15)19)22-9-12(8-20)26-16(22)23/h6-7,12,24H,2-5,8-10,20H2,1H3
InChIKeyVPYIHSPABLRWIX-UHFFFAOYSA-N
MW371.38 g/mol
LogP1.23
Rot. Bonds5

About 5-(aminomethyl)-3-[3,5-difluoro-4-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-oxazolidin-2-one

5-(aminomethyl)-3-[3,5-difluoro-4-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 67513467) has the molecular formula C17H23F2N3O4 and a molecular weight of 371.38 g/mol. Its IUPAC name is 5-(aminomethyl)-3-[3,5-difluoro-4-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-[3,5-difluoro-4-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-oxazolidin-2-one
PubChem CID67513467
Molecular FormulaC17H23F2N3O4
Molecular Weight371.38 g/mol
Exact Mass371.17
IUPAC Name5-(aminomethyl)-3-[3,5-difluoro-4-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-oxazolidin-2-one
SMILESCOCC1(O)CCN(c2c(F)cc(N3CC(CN)OC3=O)cc2F)CC1
InChIInChI=1S/C17H23F2N3O4/c1-25-10-17(24)2-4-21(5-3-17)15-13(18)6-11(7-14(15)19)22-9-12(8-20)26-16(22)23/h6-7,12,24H,2-5,8-10,20H2,1H3
InChIKeyVPYIHSPABLRWIX-UHFFFAOYSA-N
XLogP1.23
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(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
[1-[4-[(5S)-5-(1-amino-2-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-4-(methoxymethyl)piperidin-4-yl] acetate
CID 69000575
(5S)-5-(aminomethyl)-3-[3,5-difluoro-4-[4-(triazol-2-yl)piperidin-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 68940980
N-[[(5S)-3-[3,5-difluoro-4-[4-fluoro-4-(methoxymethyl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-phenylacetamide
CID 23652682
(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
3-[4-(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-3,5-difluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 175116474
(5S)-5-(aminomethyl)-3-[3,5-difluoro-4-[1-(2-hydroxyacetyl)-1,2,5-triazepan-5-yl]phenyl]-1,3-oxazolidin-2-one
CID 71043902
5-(aminomethyl)-3-[3-fluoro-4-[(3S)-3-fluoro-4,4-dimethoxypiperidin-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 69311940
(5S)-3-[4-(4-acetylpiperazin-1-yl)-3,5-difluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
CID 59953051
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazine-1-carboxylic acid;4-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]piperazine-1-carboxylic acid;methane;propane-2-thione
CID 159796779
5-(aminomethyl)-3-(5-fluoro-3-methoxyimino-4-methyl-1,4-benzoxazin-7-yl)-1,3-oxazolidin-2-one
CID 173215446

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-[3,5-difluoro-4-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-[3,5-difluoro-4-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-oxazolidin-2-one (CID 67513467) is 5-(aminomethyl)-3-[3,5-difluoro-4-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-[3,5-difluoro-4-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-[3,5-difluoro-4-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-oxazolidin-2-one is COCC1(O)CCN(c2c(F)cc(N3CC(CN)OC3=O)cc2F)CC1.
What is the InChIKey of 5-(aminomethyl)-3-[3,5-difluoro-4-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is VPYIHSPABLRWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O4/c1-25-10-17(24)2-4-21(5-3-17)15-13(18)6-11(7-14(15)19)22-9-12(8-20)26-16(22)23/h6-7,12,24H,2-5,8-10,20H2,1H3.
What are the key properties of 5-(aminomethyl)-3-[3,5-difluoro-4-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-[3,5-difluoro-4-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 371.38 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-[3,5-difluoro-4-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67513467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).