methyl 5-[3-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-3-oxopropyl]-1,3-oxazole-4-carboxylate

C17H24N2O5 — CID 122153721

IUPACmethyl 5-[3-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-3-oxopropyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1ncoc1CCC(=O)N1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H24N2O5/c1-22-16(21)15-13(23-12-18-15)5-6-14(20)19-9-10-24-17(11-19)7-3-2-4-8-17/h12H,2-11H2,1H3
InChIKeyMOPKFHDRXYUQHL-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.96
Rot. Bonds4

About methyl 5-[3-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-3-oxopropyl]-1,3-oxazole-4-carboxylate

methyl 5-[3-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-3-oxopropyl]-1,3-oxazole-4-carboxylate (PubChem CID 122153721) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is methyl 5-[3-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-3-oxopropyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-3-oxopropyl]-1,3-oxazole-4-carboxylate
PubChem CID122153721
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Namemethyl 5-[3-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-3-oxopropyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1ncoc1CCC(=O)N1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H24N2O5/c1-22-16(21)15-13(23-12-18-15)5-6-14(20)19-9-10-24-17(11-19)7-3-2-4-8-17/h12H,2-11H2,1H3
InChIKeyMOPKFHDRXYUQHL-UHFFFAOYSA-N
XLogP1.96
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-[3-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-3-oxopropyl]-1,3-oxazole-4-carboxylate with MolForge

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Related Compounds

5-{1-[(Tert-butoxy)carbonyl]piperidin-4-yl}-1,3-oxazole-4-carboxylic acid
CID 66792744
Ethyl 5-(piperidin-4-yl)-1,3-oxazole-4-carboxylate hydrochloride
CID 132397610
Methyl 5-(piperidin-4-yl)-1,3-oxazole-4-carboxylate hydrochloride
CID 136574247
methyl 5-[1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate
CID 164641093
Ethyl 5-{3-[(t-butoxycarbonyl)amino]propyl}oxazole4-carboxylate
CID 138377036
Methyl 5-(piperidin-4-yl)-1,3-oxazole-4-carboxylate
CID 117275232
Ethyl 5-(piperidin-4-yl)-1,3-oxazole-4-carboxylate
CID 117275258
Ethyl 5-cyclohexyl-1,3-oxazole-4-carboxylate
CID 61633084
Ethyl 5-butan-2-yl-1,3-oxazole-4-carboxylate
CID 61633376
Ethyl 5-(cyclohexylmethyl)-1,3-oxazole-4-carboxylate
CID 61633478
Ethyl 5-(oxan-4-yl)-1,3-oxazole-4-carboxylate
CID 62906594
tert-Butyl 4-[4-(methoxycarbonyl)-1,3-oxazol-5-yl]piperidine-1-carboxylate
CID 66750821

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-3-oxopropyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 5-[3-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-3-oxopropyl]-1,3-oxazole-4-carboxylate (CID 122153721) is methyl 5-[3-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-3-oxopropyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-[3-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-3-oxopropyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-[3-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-3-oxopropyl]-1,3-oxazole-4-carboxylate is COC(=O)c1ncoc1CCC(=O)N1CCOC2(CCCCC2)C1.
What is the InChIKey of methyl 5-[3-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-3-oxopropyl]-1,3-oxazole-4-carboxylate?
The InChIKey is MOPKFHDRXYUQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-22-16(21)15-13(23-12-18-15)5-6-14(20)19-9-10-24-17(11-19)7-3-2-4-8-17/h12H,2-11H2,1H3.
What are the key properties of methyl 5-[3-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-3-oxopropyl]-1,3-oxazole-4-carboxylate?
methyl 5-[3-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-3-oxopropyl]-1,3-oxazole-4-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-3-oxopropyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 122153721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).