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

C12H21N3O2 — CID 113304780

IUPAC(2S)-2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexanamide
SMILESCCCC[C@H](N)C(=O)N(C)Cc1cc(C)on1
InChIInChI=1S/C12H21N3O2/c1-4-5-6-11(13)12(16)15(3)8-10-7-9(2)17-14-10/h7,11H,4-6,8,13H2,1-3H3/t11-/m0/s1
InChIKeyFPGAYKFPFPKDEL-NSHDSACASA-N
MW239.32 g/mol
LogP1.46
Rot. Bonds6

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

(2S)-2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexanamide (PubChem CID 113304780) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexanamide
PubChem CID113304780
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(2S)-2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexanamide
SMILESCCCC[C@H](N)C(=O)N(C)Cc1cc(C)on1
InChIInChI=1S/C12H21N3O2/c1-4-5-6-11(13)12(16)15(3)8-10-7-9(2)17-14-10/h7,11H,4-6,8,13H2,1-3H3/t11-/m0/s1
InChIKeyFPGAYKFPFPKDEL-NSHDSACASA-N
XLogP1.46
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.46
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-[(5-methyl-1,2-oxazol-3-yl)methyl]pentanamide;hydrochloride
CID 119729325
(2S)-2-amino-N,3,3-trimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide;hydrochloride
CID 119729318
(2R)-2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide
CID 93372139
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588860
(2S)-2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]hexanamide
CID 93368050
1-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclobutane-1-carboxamide
CID 81178859
3-amino-N,2,2,3-tetramethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 65264344
butyl 4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]benzoate
CID 47039960
(2S)-2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide
CID 103832073
(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylhexanamide
CID 93367881
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpropanamide
CID 43588867

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexanamide (CID 113304780) is (2S)-2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexanamide is CCCC[C@H](N)C(=O)N(C)Cc1cc(C)on1.
What is the InChIKey of (2S)-2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexanamide?
The InChIKey is FPGAYKFPFPKDEL-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-5-6-11(13)12(16)15(3)8-10-7-9(2)17-14-10/h7,11H,4-6,8,13H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexanamide?
(2S)-2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexanamide has a molecular weight of 239.32 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexanamide is sourced from PubChem (CID 113304780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).