2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide

C16H20N2O3 — CID 111471637

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide
SMILESCc1noc(C)c1CC(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C16H20N2O3/c1-11-14(12(2)21-18-11)10-16(20)17-9-8-15(19)13-6-4-3-5-7-13/h3-7,15,19H,8-10H2,1-2H3,(H,17,20)
InChIKeyWXIAYXXJEJFDJA-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.07
Rot. Bonds6

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide (PubChem CID 111471637) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide
PubChem CID111471637
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide
SMILESCc1noc(C)c1CC(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C16H20N2O3/c1-11-14(12(2)21-18-11)10-16(20)17-9-8-15(19)13-6-4-3-5-7-13/h3-7,15,19H,8-10H2,1-2H3,(H,17,20)
InChIKeyWXIAYXXJEJFDJA-UHFFFAOYSA-N
XLogP2.07
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-3-phenylpropyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 80505661
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-phenylpropanoic acid
CID 119254605
4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-methylbutanoic acid
CID 80539351
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid
CID 16770026
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-phenylpropan-1-ol
CID 45231089
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide
CID 111119841
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-phenylbutyl)acetamide
CID 43027703
N-[(R)-cyclopropyl(phenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 93235402
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 41088769
3-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenylpropanamide
CID 119951357
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593398

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide (CID 111471637) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide is Cc1noc(C)c1CC(=O)NCCC(O)c1ccccc1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide?
The InChIKey is WXIAYXXJEJFDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-14(12(2)21-18-11)10-16(20)17-9-8-15(19)13-6-4-3-5-7-13/h3-7,15,19H,8-10H2,1-2H3,(H,17,20).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide has a molecular weight of 288.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide is sourced from PubChem (CID 111471637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).