2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-N,N-dimethylpropanamide

C13H23N3O2 — CID 86789519

IUPAC2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-N,N-dimethylpropanamide
SMILESCCC(NC(C)C(=O)N(C)C)c1c(C)noc1C
InChIInChI=1S/C13H23N3O2/c1-7-11(12-8(2)15-18-10(12)4)14-9(3)13(17)16(5)6/h9,11,14H,7H2,1-6H3
InChIKeyJTJSTJJHDXFRNB-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.81
Rot. Bonds5

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

2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-N,N-dimethylpropanamide (PubChem CID 86789519) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-N,N-dimethylpropanamide
PubChem CID86789519
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-N,N-dimethylpropanamide
SMILESCCC(NC(C)C(=O)N(C)C)c1c(C)noc1C
InChIInChI=1S/C13H23N3O2/c1-7-11(12-8(2)15-18-10(12)4)14-9(3)13(17)16(5)6/h9,11,14H,7H2,1-6H3
InChIKeyJTJSTJJHDXFRNB-UHFFFAOYSA-N
XLogP1.81
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 24982741
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 24982677
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 25163169
(3-Ethyl-5-methylisoxazol-4-yl)(pyrrolidin-1-yl)methanone
CID 1245980
1-[(Dimethyl-1,2-oxazol-4-yl)methyl]piperazine
CID 2772401
4-Isoxazolemethanamine, 3,5-diethyl-
CID 71755768
[(2S,4S)-1-[(dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
CID 119030852
1-(Dimethyl-1,2-oxazol-4-yl)propan-1-amine
CID 71757345
N-(2-(Dimethylamino)ethyl)-3-ethyl-5-methylisoxazole-4-carboxamide
CID 1245014
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide
CID 18190985
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide
CID 24687405
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 24687502

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-N,N-dimethylpropanamide (CID 86789519) is 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-N,N-dimethylpropanamide is CCC(NC(C)C(=O)N(C)C)c1c(C)noc1C.
What is the InChIKey of 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-N,N-dimethylpropanamide?
The InChIKey is JTJSTJJHDXFRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-7-11(12-8(2)15-18-10(12)4)14-9(3)13(17)16(5)6/h9,11,14H,7H2,1-6H3.
What are the key properties of 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-N,N-dimethylpropanamide?
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-N,N-dimethylpropanamide has a molecular weight of 253.35 g/mol, XLogP of 1.81, 5 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)propylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 86789519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).