tert-butyl 4-[2-[6-(cyclopropylmethoxy)-7-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate

C24H34N2O5 — CID 58018377

IUPACtert-butyl 4-[2-[6-(cyclopropylmethoxy)-7-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCc2noc3c(CO)c(OCC4CC4)ccc23)CC1
InChIInChI=1S/C24H34N2O5/c1-24(2,3)30-23(28)26-12-10-16(11-13-26)6-8-20-18-7-9-21(29-15-17-4-5-17)19(14-27)22(18)31-25-20/h7,9,16-17,27H,4-6,8,10-15H2,1-3H3
InChIKeyVBWILUZVGPRJEM-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.69
Rot. Bonds7

About tert-butyl 4-[2-[6-(cyclopropylmethoxy)-7-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[6-(cyclopropylmethoxy)-7-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate (PubChem CID 58018377) has the molecular formula C24H34N2O5 and a molecular weight of 430.55 g/mol. Its IUPAC name is tert-butyl 4-[2-[6-(cyclopropylmethoxy)-7-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[6-(cyclopropylmethoxy)-7-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate
PubChem CID58018377
Molecular FormulaC24H34N2O5
Molecular Weight430.55 g/mol
Exact Mass430.25
IUPAC Nametert-butyl 4-[2-[6-(cyclopropylmethoxy)-7-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCc2noc3c(CO)c(OCC4CC4)ccc23)CC1
InChIInChI=1S/C24H34N2O5/c1-24(2,3)30-23(28)26-12-10-16(11-13-26)6-8-20-18-7-9-21(29-15-17-4-5-17)19(14-27)22(18)31-25-20/h7,9,16-17,27H,4-6,8,10-15H2,1-3H3
InChIKeyVBWILUZVGPRJEM-UHFFFAOYSA-N
XLogP4.69
TPSA85.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[2-[6-(cyclopropylmethoxy)-7-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate
CID 58018658
tert-butyl 4-[2-[7-(hydroxymethyl)-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate
CID 58018829
tert-butyl 4-[2-[6-[[(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methoxy]-7-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate
CID 58018631
tert-butyl 4-[2-[7-(cyclopropylmethoxy)-6-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N-methylmethanamine
CID 68916795
tert-butyl 4-[2-[6-[[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]methoxy]-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate
CID 58018561
tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-(thiophen-2-ylmethoxy)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate
CID 58018820
tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-pyridin-2-yloxy-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate
CID 58018862
tert-butyl 4-[2-[7-methyl-6-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N-methylmethanamine
CID 68924018
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methyl 4-[2-[6-[[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methoxy]-7-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate
CID 87665477
tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-(pyridin-3-ylmethoxy)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate
CID 58018891
tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-hydroxyethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate
CID 58018713
tert-butyl 4-[2-[7-methyl-6-(pyridin-2-ylmethoxy)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate
CID 68920979

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[6-(cyclopropylmethoxy)-7-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[6-(cyclopropylmethoxy)-7-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate (CID 58018377) is tert-butyl 4-[2-[6-(cyclopropylmethoxy)-7-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[6-(cyclopropylmethoxy)-7-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[6-(cyclopropylmethoxy)-7-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCc2noc3c(CO)c(OCC4CC4)ccc23)CC1.
What is the InChIKey of tert-butyl 4-[2-[6-(cyclopropylmethoxy)-7-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate?
The InChIKey is VBWILUZVGPRJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O5/c1-24(2,3)30-23(28)26-12-10-16(11-13-26)6-8-20-18-7-9-21(29-15-17-4-5-17)19(14-27)22(18)31-25-20/h7,9,16-17,27H,4-6,8,10-15H2,1-3H3.
What are the key properties of tert-butyl 4-[2-[6-(cyclopropylmethoxy)-7-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[6-(cyclopropylmethoxy)-7-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate has a molecular weight of 430.55 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[6-(cyclopropylmethoxy)-7-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 58018377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).