2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide

C17H21N3O3 — CID 39436445

IUPAC2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNC(=O)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C17H21N3O3/c1-12(2)16(22)19-9-8-18-15(21)10-14-11-23-17(20-14)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyWGWOXUWAWLKDAL-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.77
Rot. Bonds7

About 2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide

2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide (PubChem CID 39436445) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide
PubChem CID39436445
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNC(=O)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C17H21N3O3/c1-12(2)16(22)19-9-8-18-15(21)10-14-11-23-17(20-14)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyWGWOXUWAWLKDAL-UHFFFAOYSA-N
XLogP1.77
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39441204
N-(1-phenylethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51261759
3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
CID 164836493
N-(5-methylhexan-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 42886686
(2R)-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanamide
CID 94483610
2-(2-phenyl-1,3-oxazol-4-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39427955
N-[2-(tert-butylamino)-2-oxoethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34201550
N-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide
CID 119499058
N-(2-hydroxy-2,5-dimethylhexyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 111485178
3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 84588911
N-[2-(3-fluorophenyl)ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 29292797
N-[1-(2-methylphenyl)ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51262103

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide (CID 39436445) is 2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide is CC(C)C(=O)NCCNC(=O)Cc1coc(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide?
The InChIKey is WGWOXUWAWLKDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12(2)16(22)19-9-8-18-15(21)10-14-11-23-17(20-14)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide?
2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide has a molecular weight of 315.37 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide is sourced from PubChem (CID 39436445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).