4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide

C10H17N3O2 — CID 80544913

IUPAC4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide
SMILESCc1noc(NC(=O)C(C)CCN)c1C
InChIInChI=1S/C10H17N3O2/c1-6(4-5-11)9(14)12-10-7(2)8(3)13-15-10/h6H,4-5,11H2,1-3H3,(H,12,14)
InChIKeyZLAGJKYLZQIEEL-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.21
Rot. Bonds4

About 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide

4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide (PubChem CID 80544913) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide
PubChem CID80544913
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide
SMILESCc1noc(NC(=O)C(C)CCN)c1C
InChIInChI=1S/C10H17N3O2/c1-6(4-5-11)9(14)12-10-7(2)8(3)13-15-10/h6H,4-5,11H2,1-3H3,(H,12,14)
InChIKeyZLAGJKYLZQIEEL-UHFFFAOYSA-N
XLogP1.21
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide?
The IUPAC name of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide (CID 80544913) is 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide?
The canonical SMILES for 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide is Cc1noc(NC(=O)C(C)CCN)c1C.
What is the InChIKey of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide?
The InChIKey is ZLAGJKYLZQIEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-6(4-5-11)9(14)12-10-7(2)8(3)13-15-10/h6H,4-5,11H2,1-3H3,(H,12,14).
What are the key properties of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide?
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide has a molecular weight of 211.26 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide is sourced from PubChem (CID 80544913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).