tert-butyl (3R)-3-(naphthalen-1-ylmethyl)-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanoate

C25H31NO5 — CID 22856694

IUPACtert-butyl (3R)-3-(naphthalen-1-ylmethyl)-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanoate
SMILESCC(C)[C@H]1COC(=O)N1C(=O)[C@@H](CC(=O)OC(C)(C)C)Cc1cccc2ccccc12
InChIInChI=1S/C25H31NO5/c1-16(2)21-15-30-24(29)26(21)23(28)19(14-22(27)31-25(3,4)5)13-18-11-8-10-17-9-6-7-12-20(17)18/h6-12,16,19,21H,13-15H2,1-5H3/t19-,21-/m1/s1
InChIKeySLEBONFMPLZVQI-TZIWHRDSSA-N
MW425.53 g/mol
LogP4.73
Rot. Bonds6

About tert-butyl (3R)-3-(naphthalen-1-ylmethyl)-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanoate

tert-butyl (3R)-3-(naphthalen-1-ylmethyl)-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanoate (PubChem CID 22856694) has the molecular formula C25H31NO5 and a molecular weight of 425.53 g/mol. Its IUPAC name is tert-butyl (3R)-3-(naphthalen-1-ylmethyl)-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanoate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(naphthalen-1-ylmethyl)-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanoate
PubChem CID22856694
Molecular FormulaC25H31NO5
Molecular Weight425.53 g/mol
Exact Mass425.22
IUPAC Nametert-butyl (3R)-3-(naphthalen-1-ylmethyl)-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanoate
SMILESCC(C)[C@H]1COC(=O)N1C(=O)[C@@H](CC(=O)OC(C)(C)C)Cc1cccc2ccccc12
InChIInChI=1S/C25H31NO5/c1-16(2)21-15-30-24(29)26(21)23(28)19(14-22(27)31-25(3,4)5)13-18-11-8-10-17-9-6-7-12-20(17)18/h6-12,16,19,21H,13-15H2,1-5H3/t19-,21-/m1/s1
InChIKeySLEBONFMPLZVQI-TZIWHRDSSA-N
XLogP4.73
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(naphthalen-1-ylmethyl)-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanoate?
The IUPAC name of tert-butyl (3R)-3-(naphthalen-1-ylmethyl)-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanoate (CID 22856694) is tert-butyl (3R)-3-(naphthalen-1-ylmethyl)-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanoate.
What is the SMILES notation for tert-butyl (3R)-3-(naphthalen-1-ylmethyl)-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanoate?
The canonical SMILES for tert-butyl (3R)-3-(naphthalen-1-ylmethyl)-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanoate is CC(C)[C@H]1COC(=O)N1C(=O)[C@@H](CC(=O)OC(C)(C)C)Cc1cccc2ccccc12.
What is the InChIKey of tert-butyl (3R)-3-(naphthalen-1-ylmethyl)-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanoate?
The InChIKey is SLEBONFMPLZVQI-TZIWHRDSSA-N. The full InChI is InChI=1S/C25H31NO5/c1-16(2)21-15-30-24(29)26(21)23(28)19(14-22(27)31-25(3,4)5)13-18-11-8-10-17-9-6-7-12-20(17)18/h6-12,16,19,21H,13-15H2,1-5H3/t19-,21-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(naphthalen-1-ylmethyl)-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanoate?
tert-butyl (3R)-3-(naphthalen-1-ylmethyl)-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanoate has a molecular weight of 425.53 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(naphthalen-1-ylmethyl)-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanoate is sourced from PubChem (CID 22856694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).