tert-butyl (4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate

C18H29N3O3 — CID 100716484

IUPACtert-butyl (4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate
SMILESCc1nc(CN2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)oc1C
InChIInChI=1S/C18H29N3O3/c1-13-14(2)23-15(19-13)11-21-10-8-18(21)7-6-9-20(12-18)16(22)24-17(3,4)5/h6-12H2,1-5H3/t18-/m0/s1
InChIKeyZTRHNXVHGSYSSU-SFHVURJKSA-N
MW335.45 g/mol
LogP3.27
Rot. Bonds2

About tert-butyl (4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate

tert-butyl (4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate (PubChem CID 100716484) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is tert-butyl (4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate
PubChem CID100716484
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Nametert-butyl (4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate
SMILESCc1nc(CN2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)oc1C
InChIInChI=1S/C18H29N3O3/c1-13-14(2)23-15(19-13)11-21-10-8-18(21)7-6-9-20(12-18)16(22)24-17(3,4)5/h6-12H2,1-5H3/t18-/m0/s1
InChIKeyZTRHNXVHGSYSSU-SFHVURJKSA-N
XLogP3.27
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate with MolForge

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Related Compounds

tert-butyl (4R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate
CID 100623973
tert-butyl (4S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate
CID 100623953
tert-butyl 1-methyl-1,9-diazaspiro[4.5]decane-9-carboxylate
CID 90236843
tert-butyl 1-benzyl-1,7-diazaspiro[4.4]nonane-7-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 157149578
tert-butyl 4-benzyl-4,7-diazaspiro[2.5]octane-7-carboxylate
CID 66888528
tert-butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;hydrochloride
CID 138109545
tert-butyl 4-[N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111078932
tert-butyl 6-methyl-2,6-diazaspiro[4.5]decane-2-carboxylate
CID 167717811
tert-butyl (3R)-3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxypiperidine-1-carboxylate
CID 125451368
tert-butyl 1-ethyl-4-oxo-1,9-diazaspiro[4.5]decane-9-carboxylate
CID 165464013
tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
tert-butyl (3S)-3-hydroxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate
CID 125452222

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate?
The IUPAC name of tert-butyl (4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate (CID 100716484) is tert-butyl (4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate.
What is the SMILES notation for tert-butyl (4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate?
The canonical SMILES for tert-butyl (4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate is Cc1nc(CN2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)oc1C.
What is the InChIKey of tert-butyl (4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate?
The InChIKey is ZTRHNXVHGSYSSU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-13-14(2)23-15(19-13)11-21-10-8-18(21)7-6-9-20(12-18)16(22)24-17(3,4)5/h6-12H2,1-5H3/t18-/m0/s1.
What are the key properties of tert-butyl (4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate?
tert-butyl (4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate has a molecular weight of 335.45 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate is sourced from PubChem (CID 100716484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).