(4R)-4-amino-2-[(4-fluorophenyl)methyl]-1,2-oxazolidin-3-one;tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate;hydrochloride

C26H32ClF2N3O6 — CID 158836532

IUPAC(4R)-4-amino-2-[(4-fluorophenyl)methyl]-1,2-oxazolidin-3-one;tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate;hydrochloride
SMILESCC(C)(C)OC(=O)C[C@@H]1CON(Cc2ccc(F)cc2)C1=O.Cl.N[C@@H]1CON(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C16H20FNO4.C10H11FN2O2.ClH/c1-16(2,3)22-14(19)8-12-10-21-18(15(12)20)9-11-4-6-13(17)7-5-11;11-8-3-1-7(2-4-8)5-13-10(14)9(12)6-15-13;/h4-7,12H,8-10H2,1-3H3;1-4,9H,5-6,12H2;1H/t12-;9-;/m11./s1
InChIKeyCWHCFWDNMVZDFA-XQGRADOOSA-N
MW556.01 g/mol
LogP3.30
Rot. Bonds6

About (4R)-4-amino-2-[(4-fluorophenyl)methyl]-1,2-oxazolidin-3-one;tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate;hydrochloride

(4R)-4-amino-2-[(4-fluorophenyl)methyl]-1,2-oxazolidin-3-one;tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate;hydrochloride (PubChem CID 158836532) has the molecular formula C26H32ClF2N3O6 and a molecular weight of 556.01 g/mol. Its IUPAC name is (4R)-4-amino-2-[(4-fluorophenyl)methyl]-1,2-oxazolidin-3-one;tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate;hydrochloride.

Molecular Properties

Compound Name(4R)-4-amino-2-[(4-fluorophenyl)methyl]-1,2-oxazolidin-3-one;tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate;hydrochloride
PubChem CID158836532
Molecular FormulaC26H32ClF2N3O6
Molecular Weight556.01 g/mol
Exact Mass555.19
IUPAC Name(4R)-4-amino-2-[(4-fluorophenyl)methyl]-1,2-oxazolidin-3-one;tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate;hydrochloride
SMILESCC(C)(C)OC(=O)C[C@@H]1CON(Cc2ccc(F)cc2)C1=O.Cl.N[C@@H]1CON(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C16H20FNO4.C10H11FN2O2.ClH/c1-16(2,3)22-14(19)8-12-10-21-18(15(12)20)9-11-4-6-13(17)7-5-11;11-8-3-1-7(2-4-8)5-13-10(14)9(12)6-15-13;/h4-7,12H,8-10H2,1-3H3;1-4,9H,5-6,12H2;1H/t12-;9-;/m11./s1
InChIKeyCWHCFWDNMVZDFA-XQGRADOOSA-N
XLogP3.30
TPSA111.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.01
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-4-amino-2-[(4-fluorophenyl)methyl]-1,2-oxazolidin-3-one;tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 2-[(4R)-2-benzyl-3-oxo-1,2-oxazolidin-4-yl]acetate
CID 147034000
1-(bromomethyl)-4-fluorobenzene;tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate;tert-butyl 2-(3-oxo-1,2-oxazolidin-4-yl)acetate
CID 159779002
tert-butyl 2-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]acetate
CID 58550089
tert-butyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate;ethane
CID 143091032
tert-butyl N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 21034112
(4S)-4-amino-2-(methoxymethyl)-1,2-oxazolidin-3-one
CID 97303131
tert-butyl N-[1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112544389
tert-butyl 2-[1-(2-aminoethyl)-2,5-dioxopyrrolidin-3-yl]acetate
CID 167630404
tert-butyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
CID 174495539
tert-butyl 2-(1-methyl-2,6-dioxopiperidin-3-yl)acetate
CID 58127117
(2S)-4-[(4-fluorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 51440471
tert-butyl N-[(1S)-2-(4-fluorophenyl)-1-(oxiran-2-yl)ethyl]carbamate
CID 91580444

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-2-[(4-fluorophenyl)methyl]-1,2-oxazolidin-3-one;tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate;hydrochloride?
The IUPAC name of (4R)-4-amino-2-[(4-fluorophenyl)methyl]-1,2-oxazolidin-3-one;tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate;hydrochloride (CID 158836532) is (4R)-4-amino-2-[(4-fluorophenyl)methyl]-1,2-oxazolidin-3-one;tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate;hydrochloride.
What is the SMILES notation for (4R)-4-amino-2-[(4-fluorophenyl)methyl]-1,2-oxazolidin-3-one;tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate;hydrochloride?
The canonical SMILES for (4R)-4-amino-2-[(4-fluorophenyl)methyl]-1,2-oxazolidin-3-one;tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate;hydrochloride is CC(C)(C)OC(=O)C[C@@H]1CON(Cc2ccc(F)cc2)C1=O.Cl.N[C@@H]1CON(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of (4R)-4-amino-2-[(4-fluorophenyl)methyl]-1,2-oxazolidin-3-one;tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate;hydrochloride?
The InChIKey is CWHCFWDNMVZDFA-XQGRADOOSA-N. The full InChI is InChI=1S/C16H20FNO4.C10H11FN2O2.ClH/c1-16(2,3)22-14(19)8-12-10-21-18(15(12)20)9-11-4-6-13(17)7-5-11;11-8-3-1-7(2-4-8)5-13-10(14)9(12)6-15-13;/h4-7,12H,8-10H2,1-3H3;1-4,9H,5-6,12H2;1H/t12-;9-;/m11./s1.
What are the key properties of (4R)-4-amino-2-[(4-fluorophenyl)methyl]-1,2-oxazolidin-3-one;tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate;hydrochloride?
(4R)-4-amino-2-[(4-fluorophenyl)methyl]-1,2-oxazolidin-3-one;tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate;hydrochloride has a molecular weight of 556.01 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-2-[(4-fluorophenyl)methyl]-1,2-oxazolidin-3-one;tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate;hydrochloride is sourced from PubChem (CID 158836532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).