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

C12H21N3O2 — CID 61164745

IUPAC(2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide
SMILESCc1noc(C)c1CN(C)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C12H21N3O2/c1-7(2)11(13)12(16)15(5)6-10-8(3)14-17-9(10)4/h7,11H,6,13H2,1-5H3/t11-/m0/s1
InChIKeyNZOJLWKQLRPXMC-NSHDSACASA-N
MW239.32 g/mol
LogP1.23
Rot. Bonds4

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

(2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide (PubChem CID 61164745) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide
PubChem CID61164745
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide
SMILESCc1noc(C)c1CN(C)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C12H21N3O2/c1-7(2)11(13)12(16)15(5)6-10-8(3)14-17-9(10)4/h7,11H,6,13H2,1-5H3/t11-/m0/s1
InChIKeyNZOJLWKQLRPXMC-NSHDSACASA-N
XLogP1.23
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride
CID 119331106
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-N-methylpropanamide
CID 81088478
3-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
CID 119796957
(2S)-2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbutanamide
CID 119320910
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60963501
1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-N-methylpropane-1,2-diamine
CID 82398747
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylprop-2-enamide
CID 60949726
(2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 94150545
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 75461028
3-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-2-one
CID 82407822
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 47010607

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide (CID 61164745) is (2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide is Cc1noc(C)c1CN(C)C(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide?
The InChIKey is NZOJLWKQLRPXMC-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N3O2/c1-7(2)11(13)12(16)15(5)6-10-8(3)14-17-9(10)4/h7,11H,6,13H2,1-5H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide?
(2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide has a molecular weight of 239.32 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 61164745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).