4,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)oxolan-3-amine

C10H16N2O2 — CID 130646323

IUPAC4,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)oxolan-3-amine
SMILESCC1(C)COCC1NCc1ccon1
InChIInChI=1S/C10H16N2O2/c1-10(2)7-13-6-9(10)11-5-8-3-4-14-12-8/h3-4,9,11H,5-7H2,1-2H3
InChIKeySSVFGEKAHHYWEV-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.19
Rot. Bonds3

About 4,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)oxolan-3-amine

4,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)oxolan-3-amine (PubChem CID 130646323) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)oxolan-3-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)oxolan-3-amine
PubChem CID130646323
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)oxolan-3-amine
SMILESCC1(C)COCC1NCc1ccon1
InChIInChI=1S/C10H16N2O2/c1-10(2)7-13-6-9(10)11-5-8-3-4-14-12-8/h3-4,9,11H,5-7H2,1-2H3
InChIKeySSVFGEKAHHYWEV-UHFFFAOYSA-N
XLogP1.19
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)oxolan-3-amine?
The IUPAC name of 4,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)oxolan-3-amine (CID 130646323) is 4,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)oxolan-3-amine.
What is the SMILES notation for 4,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)oxolan-3-amine?
The canonical SMILES for 4,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)oxolan-3-amine is CC1(C)COCC1NCc1ccon1.
What is the InChIKey of 4,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)oxolan-3-amine?
The InChIKey is SSVFGEKAHHYWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2)7-13-6-9(10)11-5-8-3-4-14-12-8/h3-4,9,11H,5-7H2,1-2H3.
What are the key properties of 4,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)oxolan-3-amine?
4,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)oxolan-3-amine has a molecular weight of 196.25 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)oxolan-3-amine is sourced from PubChem (CID 130646323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).