methyl N-[2-[2-(2-tert-butyl-1,3-oxazol-5-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate

C22H35N3O4 — CID 166765350

IUPACmethyl N-[2-[2-(2-tert-butyl-1,3-oxazol-5-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate
SMILESCCC(CNC(=O)OC)C(=O)N1CCC2(CC1)CC(c1cnc(C(C)(C)C)o1)C2
InChIInChI=1S/C22H35N3O4/c1-6-15(13-24-20(27)28-5)18(26)25-9-7-22(8-10-25)11-16(12-22)17-14-23-19(29-17)21(2,3)4/h14-16H,6-13H2,1-5H3,(H,24,27)
InChIKeyXIOGTMCPXNTOGJ-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.84
Rot. Bonds5

About methyl N-[2-[2-(2-tert-butyl-1,3-oxazol-5-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate

methyl N-[2-[2-(2-tert-butyl-1,3-oxazol-5-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate (PubChem CID 166765350) has the molecular formula C22H35N3O4 and a molecular weight of 405.54 g/mol. Its IUPAC name is methyl N-[2-[2-(2-tert-butyl-1,3-oxazol-5-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[2-(2-tert-butyl-1,3-oxazol-5-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate
PubChem CID166765350
Molecular FormulaC22H35N3O4
Molecular Weight405.54 g/mol
Exact Mass405.26
IUPAC Namemethyl N-[2-[2-(2-tert-butyl-1,3-oxazol-5-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate
SMILESCCC(CNC(=O)OC)C(=O)N1CCC2(CC1)CC(c1cnc(C(C)(C)C)o1)C2
InChIInChI=1S/C22H35N3O4/c1-6-15(13-24-20(27)28-5)18(26)25-9-7-22(8-10-25)11-16(12-22)17-14-23-19(29-17)21(2,3)4/h14-16H,6-13H2,1-5H3,(H,24,27)
InChIKeyXIOGTMCPXNTOGJ-UHFFFAOYSA-N
XLogP3.84
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl N-[2-[2-(2-tert-butyl-1,3-oxazol-5-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate with MolForge

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Related Compounds

methyl N-[3-[2-(2-tert-butyl-1,3-oxazol-5-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]carbamate
CID 167026670
methyl N-[(2R)-2-[6-(3-cyclobutylphenyl)-2-azaspiro[3.3]heptane-2-carbonyl]butyl]carbamate
CID 175627851
methyl N-[2-[1-(3-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]butyl]carbamate
CID 166718104
(2R)-1-[3-(3-tert-butylphenyl)-8-azaspiro[4.5]decan-8-yl]-2-(hydroxymethyl)butan-1-one
CID 170371825
methyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]carbamate
CID 167026503
methyl N-[2-[1-(3-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]butyl]carbamate
CID 166717960
methyl N-[2-[1-[3-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]butyl]carbamate
CID 166718034
propan-2-yl N-[(2R)-2-[6-[3-(trifluoromethoxy)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]butyl]carbamate
CID 166718539
6-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 47054697
(2R)-1-[7-[(5-cyclopropyl-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-2-(hydroxymethyl)butan-1-one
CID 170374502
(2R)-1-[6-(4-chloro-3-methoxyphenyl)-2-azaspiro[3.4]octan-2-yl]-2-(hydroxymethyl)butan-1-one
CID 170371997
tert-butyl 2-(5-tert-butyl-2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 156864591

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[2-(2-tert-butyl-1,3-oxazol-5-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate?
The IUPAC name of methyl N-[2-[2-(2-tert-butyl-1,3-oxazol-5-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate (CID 166765350) is methyl N-[2-[2-(2-tert-butyl-1,3-oxazol-5-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate.
What is the SMILES notation for methyl N-[2-[2-(2-tert-butyl-1,3-oxazol-5-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate?
The canonical SMILES for methyl N-[2-[2-(2-tert-butyl-1,3-oxazol-5-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate is CCC(CNC(=O)OC)C(=O)N1CCC2(CC1)CC(c1cnc(C(C)(C)C)o1)C2.
What is the InChIKey of methyl N-[2-[2-(2-tert-butyl-1,3-oxazol-5-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate?
The InChIKey is XIOGTMCPXNTOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O4/c1-6-15(13-24-20(27)28-5)18(26)25-9-7-22(8-10-25)11-16(12-22)17-14-23-19(29-17)21(2,3)4/h14-16H,6-13H2,1-5H3,(H,24,27).
What are the key properties of methyl N-[2-[2-(2-tert-butyl-1,3-oxazol-5-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate?
methyl N-[2-[2-(2-tert-butyl-1,3-oxazol-5-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate has a molecular weight of 405.54 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[2-(2-tert-butyl-1,3-oxazol-5-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate is sourced from PubChem (CID 166765350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).