tert-butyl N-[1-(2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl)-2-cyclohexylethyl]carbamate

C26H42N2O3 — CID 14621869

IUPACtert-butyl N-[1-(2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl)-2-cyclohexylethyl]carbamate
SMILESCC(C)C1CC(C(CC2CCCCC2)NC(=O)OC(C)(C)C)ON1Cc1ccccc1
InChIInChI=1S/C26H42N2O3/c1-19(2)23-17-24(31-28(23)18-21-14-10-7-11-15-21)22(16-20-12-8-6-9-13-20)27-25(29)30-26(3,4)5/h7,10-11,14-15,19-20,22-24H,6,8-9,12-13,16-18H2,1-5H3,(H,27,29)
InChIKeyBWKZGFFFZKZXQR-UHFFFAOYSA-N
MW430.63 g/mol
LogP6.08
Rot. Bonds7

About tert-butyl N-[1-(2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl)-2-cyclohexylethyl]carbamate

tert-butyl N-[1-(2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl)-2-cyclohexylethyl]carbamate (PubChem CID 14621869) has the molecular formula C26H42N2O3 and a molecular weight of 430.63 g/mol. Its IUPAC name is tert-butyl N-[1-(2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl)-2-cyclohexylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl)-2-cyclohexylethyl]carbamate
PubChem CID14621869
Molecular FormulaC26H42N2O3
Molecular Weight430.63 g/mol
Exact Mass430.32
IUPAC Nametert-butyl N-[1-(2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl)-2-cyclohexylethyl]carbamate
SMILESCC(C)C1CC(C(CC2CCCCC2)NC(=O)OC(C)(C)C)ON1Cc1ccccc1
InChIInChI=1S/C26H42N2O3/c1-19(2)23-17-24(31-28(23)18-21-14-10-7-11-15-21)22(16-20-12-8-6-9-13-20)27-25(29)30-26(3,4)5/h7,10-11,14-15,19-20,22-24H,6,8-9,12-13,16-18H2,1-5H3,(H,27,29)
InChIKeyBWKZGFFFZKZXQR-UHFFFAOYSA-N
XLogP6.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.63
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl)-2-cyclohexylethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl)-2-cyclohexylethyl]carbamate (CID 14621869) is tert-butyl N-[1-(2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl)-2-cyclohexylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl)-2-cyclohexylethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl)-2-cyclohexylethyl]carbamate is CC(C)C1CC(C(CC2CCCCC2)NC(=O)OC(C)(C)C)ON1Cc1ccccc1.
What is the InChIKey of tert-butyl N-[1-(2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl)-2-cyclohexylethyl]carbamate?
The InChIKey is BWKZGFFFZKZXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2O3/c1-19(2)23-17-24(31-28(23)18-21-14-10-7-11-15-21)22(16-20-12-8-6-9-13-20)27-25(29)30-26(3,4)5/h7,10-11,14-15,19-20,22-24H,6,8-9,12-13,16-18H2,1-5H3,(H,27,29).
What are the key properties of tert-butyl N-[1-(2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl)-2-cyclohexylethyl]carbamate?
tert-butyl N-[1-(2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl)-2-cyclohexylethyl]carbamate has a molecular weight of 430.63 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl)-2-cyclohexylethyl]carbamate is sourced from PubChem (CID 14621869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).