N,N-diethyl-4,4-dimethyl-5H-1,3-oxazol-2-amine

C9H18N2O — CID 20523803

IUPACN,N-diethyl-4,4-dimethyl-5H-1,3-oxazol-2-amine
SMILESCCN(CC)C1=NC(C)(C)CO1
InChIInChI=1S/C9H18N2O/c1-5-11(6-2)8-10-9(3,4)7-12-8/h5-7H2,1-4H3
InChIKeyJMHJPKYRNZCERB-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.49
Rot. Bonds2

About N,N-diethyl-4,4-dimethyl-5H-1,3-oxazol-2-amine

N,N-diethyl-4,4-dimethyl-5H-1,3-oxazol-2-amine (PubChem CID 20523803) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N,N-diethyl-4,4-dimethyl-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4,4-dimethyl-5H-1,3-oxazol-2-amine
PubChem CID20523803
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN,N-diethyl-4,4-dimethyl-5H-1,3-oxazol-2-amine
SMILESCCN(CC)C1=NC(C)(C)CO1
InChIInChI=1S/C9H18N2O/c1-5-11(6-2)8-10-9(3,4)7-12-8/h5-7H2,1-4H3
InChIKeyJMHJPKYRNZCERB-UHFFFAOYSA-N
XLogP1.49
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,4-dimethyl-5H-1,3-oxazol-2-amine?
The IUPAC name of N,N-diethyl-4,4-dimethyl-5H-1,3-oxazol-2-amine (CID 20523803) is N,N-diethyl-4,4-dimethyl-5H-1,3-oxazol-2-amine.
What is the SMILES notation for N,N-diethyl-4,4-dimethyl-5H-1,3-oxazol-2-amine?
The canonical SMILES for N,N-diethyl-4,4-dimethyl-5H-1,3-oxazol-2-amine is CCN(CC)C1=NC(C)(C)CO1.
What is the InChIKey of N,N-diethyl-4,4-dimethyl-5H-1,3-oxazol-2-amine?
The InChIKey is JMHJPKYRNZCERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-11(6-2)8-10-9(3,4)7-12-8/h5-7H2,1-4H3.
What are the key properties of N,N-diethyl-4,4-dimethyl-5H-1,3-oxazol-2-amine?
N,N-diethyl-4,4-dimethyl-5H-1,3-oxazol-2-amine has a molecular weight of 170.26 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,4-dimethyl-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 20523803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).