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

C23H35N3O4 — CID 175627655

IUPACethyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate
SMILESCCOC(=O)NC1CC(C(=O)N2CCC3(CC2)CC(c2nc(C(C)(C)C)co2)C3)C1
InChIInChI=1S/C23H35N3O4/c1-5-29-21(28)24-17-10-15(11-17)20(27)26-8-6-23(7-9-26)12-16(13-23)19-25-18(14-30-19)22(2,3)4/h14-17H,5-13H2,1-4H3,(H,24,28)
InChIKeyAVEQVNUSLQVJOP-UHFFFAOYSA-N
MW417.55 g/mol
LogP3.98
Rot. Bonds4

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

ethyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate (PubChem CID 175627655) has the molecular formula C23H35N3O4 and a molecular weight of 417.55 g/mol. Its IUPAC name is ethyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate
PubChem CID175627655
Molecular FormulaC23H35N3O4
Molecular Weight417.55 g/mol
Exact Mass417.26
IUPAC Nameethyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate
SMILESCCOC(=O)NC1CC(C(=O)N2CCC3(CC2)CC(c2nc(C(C)(C)C)co2)C3)C1
InChIInChI=1S/C23H35N3O4/c1-5-29-21(28)24-17-10-15(11-17)20(27)26-8-6-23(7-9-26)12-16(13-23)19-25-18(14-30-19)22(2,3)4/h14-17H,5-13H2,1-4H3,(H,24,28)
InChIKeyAVEQVNUSLQVJOP-UHFFFAOYSA-N
XLogP3.98
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

Analyze ethyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate?
The IUPAC name of ethyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate (CID 175627655) is ethyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate.
What is the SMILES notation for ethyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate?
The canonical SMILES for ethyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate is CCOC(=O)NC1CC(C(=O)N2CCC3(CC2)CC(c2nc(C(C)(C)C)co2)C3)C1.
What is the InChIKey of ethyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate?
The InChIKey is AVEQVNUSLQVJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4/c1-5-29-21(28)24-17-10-15(11-17)20(27)26-8-6-23(7-9-26)12-16(13-23)19-25-18(14-30-19)22(2,3)4/h14-17H,5-13H2,1-4H3,(H,24,28).
What are the key properties of ethyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate?
ethyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate has a molecular weight of 417.55 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate is sourced from PubChem (CID 175627655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).