methyl 2-[[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-1,3-oxazole-4-carboxylate

C20H29N3O5 — CID 162626633

IUPACmethyl 2-[[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CN2CCCC23CCCN(C2CCC(O)CC2)C3=O)n1
InChIInChI=1S/C20H29N3O5/c1-27-18(25)16-13-28-17(21-16)12-22-10-2-8-20(22)9-3-11-23(19(20)26)14-4-6-15(24)7-5-14/h13-15,24H,2-12H2,1H3
InChIKeyGNJCITMWYXDSJA-UHFFFAOYSA-N
MW391.47 g/mol
LogP1.72
Rot. Bonds4

About methyl 2-[[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-1,3-oxazole-4-carboxylate

methyl 2-[[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 162626633) has the molecular formula C20H29N3O5 and a molecular weight of 391.47 g/mol. Its IUPAC name is methyl 2-[[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-1,3-oxazole-4-carboxylate
PubChem CID162626633
Molecular FormulaC20H29N3O5
Molecular Weight391.47 g/mol
Exact Mass391.21
IUPAC Namemethyl 2-[[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CN2CCCC23CCCN(C2CCC(O)CC2)C3=O)n1
InChIInChI=1S/C20H29N3O5/c1-27-18(25)16-13-28-17(21-16)12-22-10-2-8-20(22)9-3-11-23(19(20)26)14-4-6-15(24)7-5-14/h13-15,24H,2-12H2,1H3
InChIKeyGNJCITMWYXDSJA-UHFFFAOYSA-N
XLogP1.72
TPSA96.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-1,3-oxazole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-1,3-oxazole-4-carboxylate (CID 162626633) is methyl 2-[[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-1,3-oxazole-4-carboxylate is COC(=O)c1coc(CN2CCCC23CCCN(C2CCC(O)CC2)C3=O)n1.
What is the InChIKey of methyl 2-[[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is GNJCITMWYXDSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5/c1-27-18(25)16-13-28-17(21-16)12-22-10-2-8-20(22)9-3-11-23(19(20)26)14-4-6-15(24)7-5-14/h13-15,24H,2-12H2,1H3.
What are the key properties of methyl 2-[[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 162626633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).