2-[[2-[[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]oxy]acetamide

C27H36N4O5 — CID 66912229

IUPAC2-[[2-[[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]oxy]acetamide
SMILESCC(C)Oc1cc(CN2CCC(Nc3nc4cc(OCC(N)=O)ccc4o3)CC2)cc(OC(C)C)c1
InChIInChI=1S/C27H36N4O5/c1-17(2)34-22-11-19(12-23(13-22)35-18(3)4)15-31-9-7-20(8-10-31)29-27-30-24-14-21(33-16-26(28)32)5-6-25(24)36-27/h5-6,11-14,17-18,20H,7-10,15-16H2,1-4H3,(H2,28,32)(H,29,30)
InChIKeyLHRKITAIPNXQMC-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.34
Rot. Bonds11

About 2-[[2-[[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]oxy]acetamide

2-[[2-[[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]oxy]acetamide (PubChem CID 66912229) has the molecular formula C27H36N4O5 and a molecular weight of 496.61 g/mol. Its IUPAC name is 2-[[2-[[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[2-[[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]oxy]acetamide
PubChem CID66912229
Molecular FormulaC27H36N4O5
Molecular Weight496.61 g/mol
Exact Mass496.27
IUPAC Name2-[[2-[[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]oxy]acetamide
SMILESCC(C)Oc1cc(CN2CCC(Nc3nc4cc(OCC(N)=O)ccc4o3)CC2)cc(OC(C)C)c1
InChIInChI=1S/C27H36N4O5/c1-17(2)34-22-11-19(12-23(13-22)35-18(3)4)15-31-9-7-20(8-10-31)29-27-30-24-14-21(33-16-26(28)32)5-6-25(24)36-27/h5-6,11-14,17-18,20H,7-10,15-16H2,1-4H3,(H2,28,32)(H,29,30)
InChIKeyLHRKITAIPNXQMC-UHFFFAOYSA-N
XLogP4.34
TPSA112.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[2-[[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]oxy]acetamide with MolForge

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Related Compounds

N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4-phenyl-1,3-oxazol-2-amine
CID 25132684
4-[[5-(3-methoxypropoxy)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid
CID 161403917
N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4,6-dimethylpyrimidin-2-amine
CID 68784815
3-[[2-[[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]oxy]propane-1,2-diol
CID 66912188
N-tert-butyl-2-[[2-(piperidin-4-ylamino)-1,3-benzoxazol-5-yl]oxy]acetamide
CID 66912263
ethyl 4-[[4-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]methyl]-2,6-diethoxybenzoate
CID 46882832
N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5-[3-(1,2,4-triazol-1-yl)propoxy]-1,3-benzoxazol-2-amine
CID 66912262
[2-[[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]amino]-1,3-benzoxazol-6-yl] methyl carbonate
CID 87201781
2-N-[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-1,3-benzoxazole-2,5-diamine
CID 69250718
N-[2-[[1-[[3-ethoxy-5-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]-2-methyl-1H-imidazole-5-sulfonamide
CID 68697655
2-[4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 63251014
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-nitro-1,3-benzoxazol-2-amine
CID 46882579

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]oxy]acetamide?
The IUPAC name of 2-[[2-[[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]oxy]acetamide (CID 66912229) is 2-[[2-[[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]oxy]acetamide.
What is the SMILES notation for 2-[[2-[[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]oxy]acetamide?
The canonical SMILES for 2-[[2-[[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]oxy]acetamide is CC(C)Oc1cc(CN2CCC(Nc3nc4cc(OCC(N)=O)ccc4o3)CC2)cc(OC(C)C)c1.
What is the InChIKey of 2-[[2-[[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]oxy]acetamide?
The InChIKey is LHRKITAIPNXQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O5/c1-17(2)34-22-11-19(12-23(13-22)35-18(3)4)15-31-9-7-20(8-10-31)29-27-30-24-14-21(33-16-26(28)32)5-6-25(24)36-27/h5-6,11-14,17-18,20H,7-10,15-16H2,1-4H3,(H2,28,32)(H,29,30).
What are the key properties of 2-[[2-[[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]oxy]acetamide?
2-[[2-[[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]oxy]acetamide has a molecular weight of 496.61 g/mol, XLogP of 4.34, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]oxy]acetamide is sourced from PubChem (CID 66912229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).