2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-diethylpropanamide

C14H25N3O2 — CID 78961648

IUPAC2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NC(C)c1c(C)noc1C
InChIInChI=1S/C14H25N3O2/c1-7-17(8-2)14(18)11(5)15-9(3)13-10(4)16-19-12(13)6/h9,11,15H,7-8H2,1-6H3
InChIKeyIJCWEGOSBPZZPU-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.20
Rot. Bonds6

About 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-diethylpropanamide

2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-diethylpropanamide (PubChem CID 78961648) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-diethylpropanamide
PubChem CID78961648
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NC(C)c1c(C)noc1C
InChIInChI=1S/C14H25N3O2/c1-7-17(8-2)14(18)11(5)15-9(3)13-10(4)16-19-12(13)6/h9,11,15H,7-8H2,1-6H3
InChIKeyIJCWEGOSBPZZPU-UHFFFAOYSA-N
XLogP2.20
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-diethylpropanamide?
The IUPAC name of 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-diethylpropanamide (CID 78961648) is 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)NC(C)c1c(C)noc1C.
What is the InChIKey of 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-diethylpropanamide?
The InChIKey is IJCWEGOSBPZZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-7-17(8-2)14(18)11(5)15-9(3)13-10(4)16-19-12(13)6/h9,11,15H,7-8H2,1-6H3.
What are the key properties of 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-diethylpropanamide?
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-diethylpropanamide has a molecular weight of 267.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 78961648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).