2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxypropanamide

C11H19N3O3 — CID 81102218

IUPAC2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC(C)c1c(C)noc1C
InChIInChI=1S/C11H19N3O3/c1-6(10-7(2)14-17-8(10)3)13-11(15)9(12)5-16-4/h6,9H,5,12H2,1-4H3,(H,13,15)
InChIKeyKGGKTODHBZBLCY-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.44
Rot. Bonds5

About 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxypropanamide

2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxypropanamide (PubChem CID 81102218) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxypropanamide
PubChem CID81102218
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC(C)c1c(C)noc1C
InChIInChI=1S/C11H19N3O3/c1-6(10-7(2)14-17-8(10)3)13-11(15)9(12)5-16-4/h6,9H,5,12H2,1-4H3,(H,13,15)
InChIKeyKGGKTODHBZBLCY-UHFFFAOYSA-N
XLogP0.44
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methoxypropanamide;hydrochloride
CID 120993315
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-difluoroacetamide
CID 103515802
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-methoxypropan-2-yl)thiourea
CID 113235705
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 79238531
methyl 2-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 131448183
methyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]butanoate
CID 115353489
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-3,3-dimethylbutanoic acid
CID 116537298
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypentanamide
CID 79237770
3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propanamide
CID 79237007
2-cyano-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pentanamide
CID 79236986
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid
CID 79242440

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxypropanamide (CID 81102218) is 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxypropanamide is COCC(N)C(=O)NC(C)c1c(C)noc1C.
What is the InChIKey of 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxypropanamide?
The InChIKey is KGGKTODHBZBLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-6(10-7(2)14-17-8(10)3)13-11(15)9(12)5-16-4/h6,9H,5,12H2,1-4H3,(H,13,15).
What are the key properties of 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxypropanamide?
2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxypropanamide has a molecular weight of 241.29 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxypropanamide is sourced from PubChem (CID 81102218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).