tert-butyl 4-[[4-[(1S,2R)-2-hydroxycyclohexyl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate

C24H34N2O6 — CID 69319472

IUPACtert-butyl 4-[[4-[(1S,2R)-2-hydroxycyclohexyl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(COc2noc3cccc(O[C@H]4CCCC[C@H]4O)c23)CC1
InChIInChI=1S/C24H34N2O6/c1-24(2,3)31-23(28)26-13-11-16(12-14-26)15-29-22-21-19(9-6-10-20(21)32-25-22)30-18-8-5-4-7-17(18)27/h6,9-10,16-18,27H,4-5,7-8,11-15H2,1-3H3/t17-,18+/m1/s1
InChIKeyJVKRPYWPGGKVQI-MSOLQXFVSA-N
MW446.54 g/mol
LogP4.54
Rot. Bonds5

About tert-butyl 4-[[4-[(1S,2R)-2-hydroxycyclohexyl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate

tert-butyl 4-[[4-[(1S,2R)-2-hydroxycyclohexyl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate (PubChem CID 69319472) has the molecular formula C24H34N2O6 and a molecular weight of 446.54 g/mol. Its IUPAC name is tert-butyl 4-[[4-[(1S,2R)-2-hydroxycyclohexyl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-[(1S,2R)-2-hydroxycyclohexyl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate
PubChem CID69319472
Molecular FormulaC24H34N2O6
Molecular Weight446.54 g/mol
Exact Mass446.24
IUPAC Nametert-butyl 4-[[4-[(1S,2R)-2-hydroxycyclohexyl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(COc2noc3cccc(O[C@H]4CCCC[C@H]4O)c23)CC1
InChIInChI=1S/C24H34N2O6/c1-24(2,3)31-23(28)26-13-11-16(12-14-26)15-29-22-21-19(9-6-10-20(21)32-25-22)30-18-8-5-4-7-17(18)27/h6,9-10,16-18,27H,4-5,7-8,11-15H2,1-3H3/t17-,18+/m1/s1
InChIKeyJVKRPYWPGGKVQI-MSOLQXFVSA-N
XLogP4.54
TPSA94.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[[4-[(1S,2R)-2-hydroxycyclohexyl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[[4-(2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate
CID 69321859
1-[[4-[[4-[(1R,2R)-2-hydroxycyclopentyl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 69319320
4-[[4-[(1-methoxycarbonylcyclopentyl)methoxy]-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylic acid
CID 90340097
4-[[4-[[4-[(1R,2S)-2-methoxycyclopentyl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol;oxalic acid
CID 69318661
tert-butyl 4-(1,3-benzoxazol-2-yloxymethyl)piperidine-1-carboxylate
CID 71630334
tert-butyl 4-[(2-chlorophenoxy)methyl]piperidine-1-carboxylate
CID 154662433
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-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidine-1-carboxylate
CID 66924145
tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate
CID 59526855
3-[(1-butylpiperidin-4-yl)methoxy]-4-(2,2-dimethylpropoxy)-1,2-benzoxazole
CID 71460941
1-[[4-[[4-(cyclobutylmethoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylic acid
CID 59786095

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-[(1S,2R)-2-hydroxycyclohexyl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-[(1S,2R)-2-hydroxycyclohexyl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate (CID 69319472) is tert-butyl 4-[[4-[(1S,2R)-2-hydroxycyclohexyl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-[(1S,2R)-2-hydroxycyclohexyl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-[(1S,2R)-2-hydroxycyclohexyl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(COc2noc3cccc(O[C@H]4CCCC[C@H]4O)c23)CC1.
What is the InChIKey of tert-butyl 4-[[4-[(1S,2R)-2-hydroxycyclohexyl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate?
The InChIKey is JVKRPYWPGGKVQI-MSOLQXFVSA-N. The full InChI is InChI=1S/C24H34N2O6/c1-24(2,3)31-23(28)26-13-11-16(12-14-26)15-29-22-21-19(9-6-10-20(21)32-25-22)30-18-8-5-4-7-17(18)27/h6,9-10,16-18,27H,4-5,7-8,11-15H2,1-3H3/t17-,18+/m1/s1.
What are the key properties of tert-butyl 4-[[4-[(1S,2R)-2-hydroxycyclohexyl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate?
tert-butyl 4-[[4-[(1S,2R)-2-hydroxycyclohexyl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate has a molecular weight of 446.54 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-[(1S,2R)-2-hydroxycyclohexyl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 69319472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).