tert-butyl 4-[[4-(2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate

C22H32N2O5 — CID 69321859

IUPACtert-butyl 4-[[4-(2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate
SMILESCC(C)COc1cccc2onc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c12
InChIInChI=1S/C22H32N2O5/c1-15(2)13-26-17-7-6-8-18-19(17)20(23-29-18)27-14-16-9-11-24(12-10-16)21(25)28-22(3,4)5/h6-8,15-16H,9-14H2,1-5H3
InChIKeyBCGFGXBSMBIDAU-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.89
Rot. Bonds6

About tert-butyl 4-[[4-(2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate

tert-butyl 4-[[4-(2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate (PubChem CID 69321859) has the molecular formula C22H32N2O5 and a molecular weight of 404.51 g/mol. Its IUPAC name is tert-butyl 4-[[4-(2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-(2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate
PubChem CID69321859
Molecular FormulaC22H32N2O5
Molecular Weight404.51 g/mol
Exact Mass404.23
IUPAC Nametert-butyl 4-[[4-(2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate
SMILESCC(C)COc1cccc2onc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c12
InChIInChI=1S/C22H32N2O5/c1-15(2)13-26-17-7-6-8-18-19(17)20(23-29-18)27-14-16-9-11-24(12-10-16)21(25)28-22(3,4)5/h6-8,15-16H,9-14H2,1-5H3
InChIKeyBCGFGXBSMBIDAU-UHFFFAOYSA-N
XLogP4.89
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[[4-[(1S,2R)-2-hydroxycyclohexyl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate
CID 69319472
4-[[4-[(1-methoxycarbonylcyclopentyl)methoxy]-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylic acid
CID 90340097
4-[(4-fluoro-1,2-benzoxazol-3-yl)oxymethyl]piperidine-1-carboxylic acid
CID 123461122
4-[[4-[(1R,2R)-2-hydroxycyclohexyl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylic acid
CID 69322250
tert-butyl 4-(1,3-benzoxazol-2-yloxymethyl)piperidine-1-carboxylate
CID 71630334
tert-butyl 4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidine-1-carboxylate
CID 66924145
tert-butyl 4-[(2-chlorophenoxy)methyl]piperidine-1-carboxylate
CID 154662433
3-[(1-butylpiperidin-4-yl)methoxy]-4-(2,2-dimethylpropoxy)-1,2-benzoxazole
CID 71460941
tert-butyl 4-[(2-amino-3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 154815063
tert-butyl 4-[[2-(dimethylamino)phenoxy]methyl]piperidine-1-carboxylate
CID 22248451
tert-butyl 4-[(4-propan-2-ylphenoxy)methyl]piperidine-1-carboxylate
CID 58790148
tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate
CID 59526855

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-(2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-(2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate (CID 69321859) is tert-butyl 4-[[4-(2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-(2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-(2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate is CC(C)COc1cccc2onc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c12.
What is the InChIKey of tert-butyl 4-[[4-(2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate?
The InChIKey is BCGFGXBSMBIDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O5/c1-15(2)13-26-17-7-6-8-18-19(17)20(23-29-18)27-14-16-9-11-24(12-10-16)21(25)28-22(3,4)5/h6-8,15-16H,9-14H2,1-5H3.
What are the key properties of tert-butyl 4-[[4-(2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate?
tert-butyl 4-[[4-(2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate has a molecular weight of 404.51 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-(2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 69321859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).