methyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]carbamate

C23H35N3O4 — CID 167026503

IUPACmethyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]carbamate
SMILESCOC(=O)NC1(C)CC(C(=O)N2CCC3(CC2)CC(c2nc(C(C)(C)C)co2)C3)C1
InChIInChI=1S/C23H35N3O4/c1-21(2,3)17-14-30-18(24-17)15-12-23(13-15)6-8-26(9-7-23)19(27)16-10-22(4,11-16)25-20(28)29-5/h14-16H,6-13H2,1-5H3,(H,25,28)
InChIKeyCVAKGPVRPGPTOM-UHFFFAOYSA-N
MW417.55 g/mol
LogP3.98
Rot. Bonds3

About methyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]carbamate

methyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]carbamate (PubChem CID 167026503) has the molecular formula C23H35N3O4 and a molecular weight of 417.55 g/mol. Its IUPAC name is methyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]carbamate
PubChem CID167026503
Molecular FormulaC23H35N3O4
Molecular Weight417.55 g/mol
Exact Mass417.26
IUPAC Namemethyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]carbamate
SMILESCOC(=O)NC1(C)CC(C(=O)N2CCC3(CC2)CC(c2nc(C(C)(C)C)co2)C3)C1
InChIInChI=1S/C23H35N3O4/c1-21(2,3)17-14-30-18(24-17)15-12-23(13-15)6-8-26(9-7-23)19(27)16-10-22(4,11-16)25-20(28)29-5/h14-16H,6-13H2,1-5H3,(H,25,28)
InChIKeyCVAKGPVRPGPTOM-UHFFFAOYSA-N
XLogP3.98
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]carbamate?
The IUPAC name of methyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]carbamate (CID 167026503) is methyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]carbamate.
What is the SMILES notation for methyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]carbamate?
The canonical SMILES for methyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]carbamate is COC(=O)NC1(C)CC(C(=O)N2CCC3(CC2)CC(c2nc(C(C)(C)C)co2)C3)C1.
What is the InChIKey of methyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]carbamate?
The InChIKey is CVAKGPVRPGPTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4/c1-21(2,3)17-14-30-18(24-17)15-12-23(13-15)6-8-26(9-7-23)19(27)16-10-22(4,11-16)25-20(28)29-5/h14-16H,6-13H2,1-5H3,(H,25,28).
What are the key properties of methyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]carbamate?
methyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]carbamate has a molecular weight of 417.55 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]carbamate is sourced from PubChem (CID 167026503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).