N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]-5-oxa-2-azaspiro[3.4]octane-2-carboxamide

C13H20N4O2 — CID 164632192

IUPACN-[(1S)-1-(1-methylimidazol-2-yl)ethyl]-5-oxa-2-azaspiro[3.4]octane-2-carboxamide
SMILESC[C@H](NC(=O)N1CC2(CCCO2)C1)c1nccn1C
InChIInChI=1S/C13H20N4O2/c1-10(11-14-5-6-16(11)2)15-12(18)17-8-13(9-17)4-3-7-19-13/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,18)/t10-/m0/s1
InChIKeyMMCOYYAXDKVJOL-JTQLQIEISA-N
MW264.33 g/mol
LogP1.06
Rot. Bonds2

About N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]-5-oxa-2-azaspiro[3.4]octane-2-carboxamide

N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]-5-oxa-2-azaspiro[3.4]octane-2-carboxamide (PubChem CID 164632192) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]-5-oxa-2-azaspiro[3.4]octane-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-methylimidazol-2-yl)ethyl]-5-oxa-2-azaspiro[3.4]octane-2-carboxamide
PubChem CID164632192
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[(1S)-1-(1-methylimidazol-2-yl)ethyl]-5-oxa-2-azaspiro[3.4]octane-2-carboxamide
SMILESC[C@H](NC(=O)N1CC2(CCCO2)C1)c1nccn1C
InChIInChI=1S/C13H20N4O2/c1-10(11-14-5-6-16(11)2)15-12(18)17-8-13(9-17)4-3-7-19-13/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,18)/t10-/m0/s1
InChIKeyMMCOYYAXDKVJOL-JTQLQIEISA-N
XLogP1.06
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]-5-oxa-2-azaspiro[3.4]octane-2-carboxamide 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 N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]-5-oxa-2-azaspiro[3.4]octane-2-carboxamide?
The IUPAC name of N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]-5-oxa-2-azaspiro[3.4]octane-2-carboxamide (CID 164632192) is N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]-5-oxa-2-azaspiro[3.4]octane-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]-5-oxa-2-azaspiro[3.4]octane-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]-5-oxa-2-azaspiro[3.4]octane-2-carboxamide is C[C@H](NC(=O)N1CC2(CCCO2)C1)c1nccn1C.
What is the InChIKey of N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]-5-oxa-2-azaspiro[3.4]octane-2-carboxamide?
The InChIKey is MMCOYYAXDKVJOL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10(11-14-5-6-16(11)2)15-12(18)17-8-13(9-17)4-3-7-19-13/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,18)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]-5-oxa-2-azaspiro[3.4]octane-2-carboxamide?
N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]-5-oxa-2-azaspiro[3.4]octane-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]-5-oxa-2-azaspiro[3.4]octane-2-carboxamide is sourced from PubChem (CID 164632192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).