3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol

C12H20N2O2 — CID 114629596

IUPAC3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCc1nc(CNC2CC(O)C2(C)C)oc1C
InChIInChI=1S/C12H20N2O2/c1-7-8(2)16-11(14-7)6-13-9-5-10(15)12(9,3)4/h9-10,13,15H,5-6H2,1-4H3
InChIKeyGAGZARJQHWXSKV-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.54
Rot. Bonds3

About 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol

3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 114629596) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
PubChem CID114629596
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCc1nc(CNC2CC(O)C2(C)C)oc1C
InChIInChI=1S/C12H20N2O2/c1-7-8(2)16-11(14-7)6-13-9-5-10(15)12(9,3)4/h9-10,13,15H,5-6H2,1-4H3
InChIKeyGAGZARJQHWXSKV-UHFFFAOYSA-N
XLogP1.54
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol (CID 114629596) is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol is Cc1nc(CNC2CC(O)C2(C)C)oc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is GAGZARJQHWXSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-7-8(2)16-11(14-7)6-13-9-5-10(15)12(9,3)4/h9-10,13,15H,5-6H2,1-4H3.
What are the key properties of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 114629596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).