(4R)-3-(benzylamino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one

C13H18N2O3 — CID 685731

IUPAC(4R)-3-(benzylamino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(NCc2ccccc2)[C@]1(C)O
InChIInChI=1S/C13H18N2O3/c1-12(2)13(3,17)15(11(16)18-12)14-9-10-7-5-4-6-8-10/h4-8,14,17H,9H2,1-3H3/t13-/m1/s1
InChIKeyBAZYFLPHFHKBOS-CYBMUJFWSA-N
MW250.30 g/mol
LogP1.63
Rot. Bonds3

About (4R)-3-(benzylamino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one

(4R)-3-(benzylamino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one (PubChem CID 685731) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (4R)-3-(benzylamino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-(benzylamino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
PubChem CID685731
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(4R)-3-(benzylamino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(NCc2ccccc2)[C@]1(C)O
InChIInChI=1S/C13H18N2O3/c1-12(2)13(3,17)15(11(16)18-12)14-9-10-7-5-4-6-8-10/h4-8,14,17H,9H2,1-3H3/t13-/m1/s1
InChIKeyBAZYFLPHFHKBOS-CYBMUJFWSA-N
XLogP1.63
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-benzyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate
CID 5128608
(4S,5S)-3-ethyl-4-hydroxy-4,5-dimethyl-5-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 718145
2-[(2S)-4-(benzylamino)-3-oxomorpholin-2-yl]acetic acid
CID 10901474
N-benzyl-1-hydroxy-2,2-dimethylcyclopropane-1-carboxamide
CID 132515764
(4R)-3-[(2R)-3-(benzylamino)-2-phenylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 73212174
(4R)-4-benzyl-3-(2-chloroacetyl)-5,5-dimethyl-1,3-oxazolidin-2-one
CID 11594357
4-(benzylamino)-5,5-dimethylfuran-2-one
CID 102422900
4-hydroxy-5,5-dimethyl-3,4-diphenyl-1,3-oxazolidin-2-one
CID 12654053
1-benzyl-3-methylurea;ethane
CID 90763782
N-benzyl-4,4-dimethyl-1,3-oxazolidine-3-carboxamide
CID 110749603
N-benzyl-2,2-dimethyl-5-oxopyrrole-1-carboxamide
CID 145361757
5,5-dimethyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 11064736

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(benzylamino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-(benzylamino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one (CID 685731) is (4R)-3-(benzylamino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-(benzylamino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-(benzylamino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(NCc2ccccc2)[C@]1(C)O.
What is the InChIKey of (4R)-3-(benzylamino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The InChIKey is BAZYFLPHFHKBOS-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-12(2)13(3,17)15(11(16)18-12)14-9-10-7-5-4-6-8-10/h4-8,14,17H,9H2,1-3H3/t13-/m1/s1.
What are the key properties of (4R)-3-(benzylamino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one?
(4R)-3-(benzylamino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one has a molecular weight of 250.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(benzylamino)-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 685731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).