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

C24H37N3O4 — CID 170012993

IUPACmethyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]-N-methylcarbamate
SMILESCOC(=O)N(C)C1(C)CC(C(=O)N2CCC3(CC2)CC(c2nc(C(C)(C)C)co2)C3)C1
InChIInChI=1S/C24H37N3O4/c1-22(2,3)18-15-31-19(25-18)16-13-24(14-16)7-9-27(10-8-24)20(28)17-11-23(4,12-17)26(5)21(29)30-6/h15-17H,7-14H2,1-6H3
InChIKeyDQIPUSDDTRCTFT-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.33
Rot. Bonds3

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

methyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]-N-methylcarbamate (PubChem CID 170012993) has the molecular formula C24H37N3O4 and a molecular weight of 431.58 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]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]-N-methylcarbamate
PubChem CID170012993
Molecular FormulaC24H37N3O4
Molecular Weight431.58 g/mol
Exact Mass431.28
IUPAC Namemethyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]-N-methylcarbamate
SMILESCOC(=O)N(C)C1(C)CC(C(=O)N2CCC3(CC2)CC(c2nc(C(C)(C)C)co2)C3)C1
InChIInChI=1S/C24H37N3O4/c1-22(2,3)18-15-31-19(25-18)16-13-24(14-16)7-9-27(10-8-24)20(28)17-11-23(4,12-17)26(5)21(29)30-6/h15-17H,7-14H2,1-6H3
InChIKeyDQIPUSDDTRCTFT-UHFFFAOYSA-N
XLogP4.33
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.33
H-Bond Donors ≤ 50
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]-N-methylcarbamate?
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]-N-methylcarbamate (CID 170012993) is methyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]-N-methylcarbamate.
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]-N-methylcarbamate?
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]-N-methylcarbamate is COC(=O)N(C)C1(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]-N-methylcarbamate?
The InChIKey is DQIPUSDDTRCTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O4/c1-22(2,3)18-15-31-19(25-18)16-13-24(14-16)7-9-27(10-8-24)20(28)17-11-23(4,12-17)26(5)21(29)30-6/h15-17H,7-14H2,1-6H3.
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]-N-methylcarbamate?
methyl N-[3-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]-N-methylcarbamate has a molecular weight of 431.58 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 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]-N-methylcarbamate is sourced from PubChem (CID 170012993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).