2-amino-N,3-dimethyl-N-(1,2-oxazol-3-ylmethyl)butanamide;hydrochloride

C10H18ClN3O2 — CID 119330899

IUPAC2-amino-N,3-dimethyl-N-(1,2-oxazol-3-ylmethyl)butanamide;hydrochloride
SMILESCC(C)C(N)C(=O)N(C)Cc1ccon1.Cl
InChIInChI=1S/C10H17N3O2.ClH/c1-7(2)9(11)10(14)13(3)6-8-4-5-15-12-8;/h4-5,7,9H,6,11H2,1-3H3;1H
InChIKeyWTBSABBUKBUCDJ-UHFFFAOYSA-N
MW247.73 g/mol
LogP1.04
Rot. Bonds4

About 2-amino-N,3-dimethyl-N-(1,2-oxazol-3-ylmethyl)butanamide;hydrochloride

2-amino-N,3-dimethyl-N-(1,2-oxazol-3-ylmethyl)butanamide;hydrochloride (PubChem CID 119330899) has the molecular formula C10H18ClN3O2 and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-amino-N,3-dimethyl-N-(1,2-oxazol-3-ylmethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N,3-dimethyl-N-(1,2-oxazol-3-ylmethyl)butanamide;hydrochloride
PubChem CID119330899
Molecular FormulaC10H18ClN3O2
Molecular Weight247.73 g/mol
Exact Mass247.11
IUPAC Name2-amino-N,3-dimethyl-N-(1,2-oxazol-3-ylmethyl)butanamide;hydrochloride
SMILESCC(C)C(N)C(=O)N(C)Cc1ccon1.Cl
InChIInChI=1S/C10H17N3O2.ClH/c1-7(2)9(11)10(14)13(3)6-8-4-5-15-12-8;/h4-5,7,9H,6,11H2,1-3H3;1H
InChIKeyWTBSABBUKBUCDJ-UHFFFAOYSA-N
XLogP1.04
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,3-dimethyl-N-(1,2-oxazol-3-ylmethyl)butanamide;hydrochloride?
The IUPAC name of 2-amino-N,3-dimethyl-N-(1,2-oxazol-3-ylmethyl)butanamide;hydrochloride (CID 119330899) is 2-amino-N,3-dimethyl-N-(1,2-oxazol-3-ylmethyl)butanamide;hydrochloride.
What is the SMILES notation for 2-amino-N,3-dimethyl-N-(1,2-oxazol-3-ylmethyl)butanamide;hydrochloride?
The canonical SMILES for 2-amino-N,3-dimethyl-N-(1,2-oxazol-3-ylmethyl)butanamide;hydrochloride is CC(C)C(N)C(=O)N(C)Cc1ccon1.Cl.
What is the InChIKey of 2-amino-N,3-dimethyl-N-(1,2-oxazol-3-ylmethyl)butanamide;hydrochloride?
The InChIKey is WTBSABBUKBUCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2.ClH/c1-7(2)9(11)10(14)13(3)6-8-4-5-15-12-8;/h4-5,7,9H,6,11H2,1-3H3;1H.
What are the key properties of 2-amino-N,3-dimethyl-N-(1,2-oxazol-3-ylmethyl)butanamide;hydrochloride?
2-amino-N,3-dimethyl-N-(1,2-oxazol-3-ylmethyl)butanamide;hydrochloride has a molecular weight of 247.73 g/mol, XLogP of 1.04, 4 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-(1,2-oxazol-3-ylmethyl)butanamide;hydrochloride is sourced from PubChem (CID 119330899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).