2-amino-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pentanamide;hydrochloride

C12H22ClN3O2 — CID 119729325

IUPAC2-amino-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)N(C)Cc1cc(C)on1.Cl
InChIInChI=1S/C12H21N3O2.ClH/c1-5-8(2)11(13)12(16)15(4)7-10-6-9(3)17-14-10;/h6,8,11H,5,7,13H2,1-4H3;1H
InChIKeyAJJXHABUMARJPP-UHFFFAOYSA-N
MW275.78 g/mol
LogP1.74
Rot. Bonds5

About 2-amino-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pentanamide;hydrochloride

2-amino-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pentanamide;hydrochloride (PubChem CID 119729325) has the molecular formula C12H22ClN3O2 and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-amino-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pentanamide;hydrochloride
PubChem CID119729325
Molecular FormulaC12H22ClN3O2
Molecular Weight275.78 g/mol
Exact Mass275.14
IUPAC Name2-amino-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)N(C)Cc1cc(C)on1.Cl
InChIInChI=1S/C12H21N3O2.ClH/c1-5-8(2)11(13)12(16)15(4)7-10-6-9(3)17-14-10;/h6,8,11H,5,7,13H2,1-4H3;1H
InChIKeyAJJXHABUMARJPP-UHFFFAOYSA-N
XLogP1.74
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588863
2-amino-N,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide;hydrochloride
CID 119697260
(2S)-2-amino-N,3,3-trimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide;hydrochloride
CID 119729318
(2S)-2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexanamide
CID 113304780
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride
CID 119683628
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 87016497
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588860
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide
CID 61174614
methyl 2-methyl-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate
CID 60965753
4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide;hydrochloride
CID 119729329
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylpropoxy)propanamide
CID 86985859
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,3-dimethylpentanamide
CID 60938179

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pentanamide;hydrochloride (CID 119729325) is 2-amino-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pentanamide;hydrochloride is CCC(C)C(N)C(=O)N(C)Cc1cc(C)on1.Cl.
What is the InChIKey of 2-amino-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pentanamide;hydrochloride?
The InChIKey is AJJXHABUMARJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2.ClH/c1-5-8(2)11(13)12(16)15(4)7-10-6-9(3)17-14-10;/h6,8,11H,5,7,13H2,1-4H3;1H.
What are the key properties of 2-amino-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pentanamide;hydrochloride?
2-amino-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pentanamide;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119729325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).