(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

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Related Compounds

3-ethyl-N-phenyl-1,2-oxazole-5-carboxamide
CID 15692911
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methoxyphenyl)butanamide
CID 91842429
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanamide
CID 55544203
2-[methyl-[(4-methylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17412930
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 24560962
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 34710973
2-(dimethylamino)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 72940380
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 56714839
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,1-dimethylindole-2-carboxamide
CID 56758140
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea
CID 51108291
(3-ethyl-1,2-oxazol-5-yl)methyl N-(2-methylpropyl)carbamate
CID 91305946
(2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-methoxyphenyl)butanamide
CID 34714078

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).