(2R)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpentanamide

C12H21N3O2 — CID 56875303

IUPAC(2R)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpentanamide
SMILESCc1noc(C)c1CNC(=O)[C@H](N)CC(C)C
InChIInChI=1S/C12H21N3O2/c1-7(2)5-11(13)12(16)14-6-10-8(3)15-17-9(10)4/h7,11H,5-6,13H2,1-4H3,(H,14,16)/t11-/m1/s1
InChIKeyASRAVJIYMKMIOQ-LLVKDONJSA-N
MW239.32 g/mol
LogP1.28
Rot. Bonds5

About (2R)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpentanamide

(2R)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpentanamide (PubChem CID 56875303) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (2R)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpentanamide
PubChem CID56875303
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(2R)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpentanamide
SMILESCc1noc(C)c1CNC(=O)[C@H](N)CC(C)C
InChIInChI=1S/C12H21N3O2/c1-7(2)5-11(13)12(16)14-6-10-8(3)15-17-9(10)4/h7,11H,5-6,13H2,1-4H3,(H,14,16)/t11-/m1/s1
InChIKeyASRAVJIYMKMIOQ-LLVKDONJSA-N
XLogP1.28
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpentanamide (CID 56875303) is (2R)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpentanamide is Cc1noc(C)c1CNC(=O)[C@H](N)CC(C)C.
What is the InChIKey of (2R)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpentanamide?
The InChIKey is ASRAVJIYMKMIOQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-7(2)5-11(13)12(16)14-6-10-8(3)15-17-9(10)4/h7,11H,5-6,13H2,1-4H3,(H,14,16)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpentanamide?
(2R)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpentanamide has a molecular weight of 239.32 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpentanamide is sourced from PubChem (CID 56875303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).