[(1R,3R)-3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate

C23H33N3O4 — CID 175627656

IUPAC[(1R,3R)-3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate
SMILESCC(C)(C)c1coc(C2CC3(CCN(C(=O)[C@@H]4C[C@]5(COC(N)=O)CC45)CC3)C2)n1
InChIInChI=1S/C23H33N3O4/c1-21(2,3)17-12-29-18(25-17)14-8-22(9-14)4-6-26(7-5-22)19(27)15-10-23(11-16(15)23)13-30-20(24)28/h12,14-16H,4-11,13H2,1-3H3,(H2,24,28)/t15-,16?,23-/m1/s1
InChIKeyFKRKTSYHOHTDAB-KPHDIGGQSA-N
MW415.53 g/mol
LogP3.58
Rot. Bonds4

About [(1R,3R)-3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate

[(1R,3R)-3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate (PubChem CID 175627656) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is [(1R,3R)-3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate.

Molecular Properties

Compound Name[(1R,3R)-3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate
PubChem CID175627656
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Name[(1R,3R)-3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate
SMILESCC(C)(C)c1coc(C2CC3(CCN(C(=O)[C@@H]4C[C@]5(COC(N)=O)CC45)CC3)C2)n1
InChIInChI=1S/C23H33N3O4/c1-21(2,3)17-12-29-18(25-17)14-8-22(9-14)4-6-26(7-5-22)19(27)15-10-23(11-16(15)23)13-30-20(24)28/h12,14-16H,4-11,13H2,1-3H3,(H2,24,28)/t15-,16?,23-/m1/s1
InChIKeyFKRKTSYHOHTDAB-KPHDIGGQSA-N
XLogP3.58
TPSA98.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1R,3R)-3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate?
The IUPAC name of [(1R,3R)-3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate (CID 175627656) is [(1R,3R)-3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate.
What is the SMILES notation for [(1R,3R)-3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate?
The canonical SMILES for [(1R,3R)-3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate is CC(C)(C)c1coc(C2CC3(CCN(C(=O)[C@@H]4C[C@]5(COC(N)=O)CC45)CC3)C2)n1.
What is the InChIKey of [(1R,3R)-3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate?
The InChIKey is FKRKTSYHOHTDAB-KPHDIGGQSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-21(2,3)17-12-29-18(25-17)14-8-22(9-14)4-6-26(7-5-22)19(27)15-10-23(11-16(15)23)13-30-20(24)28/h12,14-16H,4-11,13H2,1-3H3,(H2,24,28)/t15-,16?,23-/m1/s1.
What are the key properties of [(1R,3R)-3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate?
[(1R,3R)-3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate has a molecular weight of 415.53 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate is sourced from PubChem (CID 175627656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).