3-methyl-7-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene

C12H17N3O2 — CID 134792719

IUPAC3-methyl-7-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
SMILESCC1=NOC2(CCN(Cc3cc(C)on3)C2)C1
InChIInChI=1S/C12H17N3O2/c1-9-6-12(17-13-9)3-4-15(8-12)7-11-5-10(2)16-14-11/h5H,3-4,6-8H2,1-2H3
InChIKeyJTVXJMJLIHJUMA-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.72
Rot. Bonds2

About 3-methyl-7-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene

3-methyl-7-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene (PubChem CID 134792719) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-methyl-7-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene.

Molecular Properties

Compound Name3-methyl-7-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
PubChem CID134792719
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-methyl-7-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
SMILESCC1=NOC2(CCN(Cc3cc(C)on3)C2)C1
InChIInChI=1S/C12H17N3O2/c1-9-6-12(17-13-9)3-4-15(8-12)7-11-5-10(2)16-14-11/h5H,3-4,6-8H2,1-2H3
InChIKeyJTVXJMJLIHJUMA-UHFFFAOYSA-N
XLogP1.72
TPSA50.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-7-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene 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 3-methyl-7-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The IUPAC name of 3-methyl-7-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene (CID 134792719) is 3-methyl-7-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene.
What is the SMILES notation for 3-methyl-7-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The canonical SMILES for 3-methyl-7-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene is CC1=NOC2(CCN(Cc3cc(C)on3)C2)C1.
What is the InChIKey of 3-methyl-7-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The InChIKey is JTVXJMJLIHJUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-6-12(17-13-9)3-4-15(8-12)7-11-5-10(2)16-14-11/h5H,3-4,6-8H2,1-2H3.
What are the key properties of 3-methyl-7-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
3-methyl-7-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene has a molecular weight of 235.29 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene is sourced from PubChem (CID 134792719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).