N,N-diethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine

C10H18N2O — CID 13780

IUPACN,N-diethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine
SMILESCCN(CC)CCc1cc(C)on1
InChIInChI=1S/C10H18N2O/c1-4-12(5-2)7-6-10-8-9(3)13-11-10/h8H,4-7H2,1-3H3
InChIKeyIMSGEUSOLGQIMP-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.87
Rot. Bonds5

About N,N-diethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine

N,N-diethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine (PubChem CID 13780) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N,N-diethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine
PubChem CID13780
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN,N-diethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine
SMILESCCN(CC)CCc1cc(C)on1
InChIInChI=1S/C10H18N2O/c1-4-12(5-2)7-6-10-8-9(3)13-11-10/h8H,4-7H2,1-3H3
InChIKeyIMSGEUSOLGQIMP-UHFFFAOYSA-N
XLogP1.87
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine (CID 13780) is N,N-diethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine is CCN(CC)CCc1cc(C)on1.
What is the InChIKey of N,N-diethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine?
The InChIKey is IMSGEUSOLGQIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-12(5-2)7-6-10-8-9(3)13-11-10/h8H,4-7H2,1-3H3.
What are the key properties of N,N-diethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine?
N,N-diethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine has a molecular weight of 182.27 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine is sourced from PubChem (CID 13780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).