propan-2-yl (4R,5S)-3-benzyl-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate

C17H23NO4 — CID 139935300

IUPACpropan-2-yl (4R,5S)-3-benzyl-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate
SMILESCCC[C@@H]1OC(=O)N(Cc2ccccc2)[C@H]1C(=O)OC(C)C
InChIInChI=1S/C17H23NO4/c1-4-8-14-15(16(19)21-12(2)3)18(17(20)22-14)11-13-9-6-5-7-10-13/h5-7,9-10,12,14-15H,4,8,11H2,1-3H3/t14-,15+/m0/s1
InChIKeyPCNCXRZSPCAVAN-LSDHHAIUSA-N
MW305.37 g/mol
LogP3.13
Rot. Bonds6

About propan-2-yl (4R,5S)-3-benzyl-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate

propan-2-yl (4R,5S)-3-benzyl-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate (PubChem CID 139935300) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is propan-2-yl (4R,5S)-3-benzyl-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (4R,5S)-3-benzyl-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate
PubChem CID139935300
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namepropan-2-yl (4R,5S)-3-benzyl-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate
SMILESCCC[C@@H]1OC(=O)N(Cc2ccccc2)[C@H]1C(=O)OC(C)C
InChIInChI=1S/C17H23NO4/c1-4-8-14-15(16(19)21-12(2)3)18(17(20)22-14)11-13-9-6-5-7-10-13/h5-7,9-10,12,14-15H,4,8,11H2,1-3H3/t14-,15+/m0/s1
InChIKeyPCNCXRZSPCAVAN-LSDHHAIUSA-N
XLogP3.13
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5S)-3-benzyl-5-decyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 139935287
(4R,5S)-3-[(3-bromophenyl)methyl]-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylic acid
CID 139935264
tert-butyl (4S,5S)-3-benzyl-2-oxo-5-prop-1-en-2-yl-1,3-oxazolidine-4-carboxylate
CID 11652623
(4R,5R)-3-benzyl-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one
CID 146267205
propan-2-yl 1-benzylpiperidine-4-carboxylate
CID 83983156
3-benzyl-5-[3-(butanoylamino)phenyl]-2-oxo-N-(1-phenylethyl)-1,3-oxazolidine-4-carboxamide
CID 42841116
ethyl 2-(benzenesulfonyl)-2-[(4R,5S)-3-benzyl-2-oxo-5-propan-2-yl-1,3-oxazolidin-4-yl]acetate
CID 10906391
3-acetyl-1-benzyl-4-hydroxy-2-propyl-2H-pyrrol-5-one
CID 22335708
(4R,5S)-3-benzyl-5-[(1S)-1,2-dihydroxyethyl]-4-tetradecyl-1,3-oxazolidin-2-one
CID 56653265
3-benzyl-N,N-diethyl-5-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841031
5-(3-acetamidophenyl)-3-benzyl-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
CID 42841017
3-benzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-N-(1-phenylethyl)-1,3-oxazolidine-4-carboxamide
CID 46021220

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (4R,5S)-3-benzyl-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of propan-2-yl (4R,5S)-3-benzyl-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate (CID 139935300) is propan-2-yl (4R,5S)-3-benzyl-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for propan-2-yl (4R,5S)-3-benzyl-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for propan-2-yl (4R,5S)-3-benzyl-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate is CCC[C@@H]1OC(=O)N(Cc2ccccc2)[C@H]1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (4R,5S)-3-benzyl-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is PCNCXRZSPCAVAN-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H23NO4/c1-4-8-14-15(16(19)21-12(2)3)18(17(20)22-14)11-13-9-6-5-7-10-13/h5-7,9-10,12,14-15H,4,8,11H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of propan-2-yl (4R,5S)-3-benzyl-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate?
propan-2-yl (4R,5S)-3-benzyl-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (4R,5S)-3-benzyl-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 139935300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).