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

C12H22ClN3O3 — CID 120993315

IUPAC2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCC(C)c1c(C)noc1C.Cl
InChIInChI=1S/C12H21N3O3.ClH/c1-7(11-8(2)15-18-9(11)3)5-14-12(16)10(13)6-17-4;/h7,10H,5-6,13H2,1-4H3,(H,14,16);1H
InChIKeyNYKCZIZKBLKDDK-UHFFFAOYSA-N
MW291.78 g/mol
LogP0.91
Rot. Bonds6

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

2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120993315) has the molecular formula C12H22ClN3O3 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methoxypropanamide;hydrochloride
PubChem CID120993315
Molecular FormulaC12H22ClN3O3
Molecular Weight291.78 g/mol
Exact Mass291.13
IUPAC Name2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCC(C)c1c(C)noc1C.Cl
InChIInChI=1S/C12H21N3O3.ClH/c1-7(11-8(2)15-18-9(11)3)5-14-12(16)10(13)6-17-4;/h7,10H,5-6,13H2,1-4H3,(H,14,16);1H
InChIKeyNYKCZIZKBLKDDK-UHFFFAOYSA-N
XLogP0.91
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxypropanamide
CID 81102218
2-amino-3-methoxy-N-(2-phenylpropyl)propanamide
CID 81089279
2-amino-3-methoxy-N-(3-methoxy-2-methylpropyl)propanamide
CID 81089502
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-N-methylpropanamide
CID 81088478
2-amino-N-(4-hydroxy-2-methylbutyl)-3-methoxypropanamide
CID 81102467
2-amino-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106396516
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea
CID 167785125
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-3-methylpentyl)butanamide
CID 109380177
N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-[(S)-ethylsulfinyl]benzamide
CID 97240474
(E)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75387649
(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine;hydrochloride
CID 127263741
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111464175

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methoxypropanamide;hydrochloride (CID 120993315) is 2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)NCC(C)c1c(C)noc1C.Cl.
What is the InChIKey of 2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is NYKCZIZKBLKDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3.ClH/c1-7(11-8(2)15-18-9(11)3)5-14-12(16)10(13)6-17-4;/h7,10H,5-6,13H2,1-4H3,(H,14,16);1H.
What are the key properties of 2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120993315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).