(2S)-2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-phenylbutanamide

C17H23N3O2 — CID 95144078

IUPAC(2S)-2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-phenylbutanamide
SMILESCCc1cc(CN(C)[C@@H](CC)C(=O)Nc2ccccc2)on1
InChIInChI=1S/C17H23N3O2/c1-4-13-11-15(22-19-13)12-20(3)16(5-2)17(21)18-14-9-7-6-8-10-14/h6-11,16H,4-5,12H2,1-3H3,(H,18,21)/t16-/m0/s1
InChIKeyDRASEBSHQKSRCQ-INIZCTEOSA-N
MW301.39 g/mol
LogP3.09
Rot. Bonds7

About (2S)-2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-phenylbutanamide

(2S)-2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-phenylbutanamide (PubChem CID 95144078) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S)-2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-phenylbutanamide
PubChem CID95144078
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2S)-2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-phenylbutanamide
SMILESCCc1cc(CN(C)[C@@H](CC)C(=O)Nc2ccccc2)on1
InChIInChI=1S/C17H23N3O2/c1-4-13-11-15(22-19-13)12-20(3)16(5-2)17(21)18-14-9-7-6-8-10-14/h6-11,16H,4-5,12H2,1-3H3,(H,18,21)/t16-/m0/s1
InChIKeyDRASEBSHQKSRCQ-INIZCTEOSA-N
XLogP3.09
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-phenylbutanamide?
The IUPAC name of (2S)-2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-phenylbutanamide (CID 95144078) is (2S)-2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-phenylbutanamide.
What is the SMILES notation for (2S)-2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-phenylbutanamide?
The canonical SMILES for (2S)-2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-phenylbutanamide is CCc1cc(CN(C)[C@@H](CC)C(=O)Nc2ccccc2)on1.
What is the InChIKey of (2S)-2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-phenylbutanamide?
The InChIKey is DRASEBSHQKSRCQ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-13-11-15(22-19-13)12-20(3)16(5-2)17(21)18-14-9-7-6-8-10-14/h6-11,16H,4-5,12H2,1-3H3,(H,18,21)/t16-/m0/s1.
What are the key properties of (2S)-2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-phenylbutanamide?
(2S)-2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-phenylbutanamide has a molecular weight of 301.39 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-phenylbutanamide is sourced from PubChem (CID 95144078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).