5-[(2S)-2-amino-3-phenylpropyl]-4-benzyl-1,3-oxazolidin-2-one

C19H22N2O2 — CID 67959001

IUPAC5-[(2S)-2-amino-3-phenylpropyl]-4-benzyl-1,3-oxazolidin-2-one
SMILESN[C@@H](Cc1ccccc1)CC1OC(=O)NC1Cc1ccccc1
InChIInChI=1S/C19H22N2O2/c20-16(11-14-7-3-1-4-8-14)13-18-17(21-19(22)23-18)12-15-9-5-2-6-10-15/h1-10,16-18H,11-13,20H2,(H,21,22)/t16-,17?,18?/m0/s1
InChIKeyALYWIDSIPANQCM-AOCRQIFASA-N
MW310.40 g/mol
LogP2.67
Rot. Bonds6

About 5-[(2S)-2-amino-3-phenylpropyl]-4-benzyl-1,3-oxazolidin-2-one

5-[(2S)-2-amino-3-phenylpropyl]-4-benzyl-1,3-oxazolidin-2-one (PubChem CID 67959001) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-[(2S)-2-amino-3-phenylpropyl]-4-benzyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(2S)-2-amino-3-phenylpropyl]-4-benzyl-1,3-oxazolidin-2-one
PubChem CID67959001
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name5-[(2S)-2-amino-3-phenylpropyl]-4-benzyl-1,3-oxazolidin-2-one
SMILESN[C@@H](Cc1ccccc1)CC1OC(=O)NC1Cc1ccccc1
InChIInChI=1S/C19H22N2O2/c20-16(11-14-7-3-1-4-8-14)13-18-17(21-19(22)23-18)12-15-9-5-2-6-10-15/h1-10,16-18H,11-13,20H2,(H,21,22)/t16-,17?,18?/m0/s1
InChIKeyALYWIDSIPANQCM-AOCRQIFASA-N
XLogP2.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 14023295
(4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one
CID 15012939
tert-butyl N-[(2R)-1-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-3-phenylpropan-2-yl]carbamate
CID 66874693
(4S,5S)-4-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 158691447
5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115062429
(4R)-4-benzyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-oxazolidin-2-one
CID 155884904
(4S)-4-benzyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-oxazolidin-2-one
CID 121233789
(4S,5S)-4-benzyl-5-[(E,2S)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one
CID 135027570
[(4S,5R)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate
CID 101065289
(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboperoxoic acid
CID 59131647
1-(oxan-4-yl)-3-phenylpropan-2-amine
CID 62606455
(4S,5R)-5-(chloromethyl)-4-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one
CID 71473848

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-amino-3-phenylpropyl]-4-benzyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(2S)-2-amino-3-phenylpropyl]-4-benzyl-1,3-oxazolidin-2-one (CID 67959001) is 5-[(2S)-2-amino-3-phenylpropyl]-4-benzyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(2S)-2-amino-3-phenylpropyl]-4-benzyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(2S)-2-amino-3-phenylpropyl]-4-benzyl-1,3-oxazolidin-2-one is N[C@@H](Cc1ccccc1)CC1OC(=O)NC1Cc1ccccc1.
What is the InChIKey of 5-[(2S)-2-amino-3-phenylpropyl]-4-benzyl-1,3-oxazolidin-2-one?
The InChIKey is ALYWIDSIPANQCM-AOCRQIFASA-N. The full InChI is InChI=1S/C19H22N2O2/c20-16(11-14-7-3-1-4-8-14)13-18-17(21-19(22)23-18)12-15-9-5-2-6-10-15/h1-10,16-18H,11-13,20H2,(H,21,22)/t16-,17?,18?/m0/s1.
What are the key properties of 5-[(2S)-2-amino-3-phenylpropyl]-4-benzyl-1,3-oxazolidin-2-one?
5-[(2S)-2-amino-3-phenylpropyl]-4-benzyl-1,3-oxazolidin-2-one has a molecular weight of 310.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-amino-3-phenylpropyl]-4-benzyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67959001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).