3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid

C16H20N2O3 — CID 62825872

IUPAC3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid
SMILESCCN(Cc1cc(-c2ccccc2)on1)C(C)CC(=O)O
InChIInChI=1S/C16H20N2O3/c1-3-18(12(2)9-16(19)20)11-14-10-15(21-17-14)13-7-5-4-6-8-13/h4-8,10,12H,3,9,11H2,1-2H3,(H,19,20)
InChIKeyUPTKGISJKMWHHB-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.03
Rot. Bonds7

About 3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid

3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid (PubChem CID 62825872) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid
PubChem CID62825872
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid
SMILESCCN(Cc1cc(-c2ccccc2)on1)C(C)CC(=O)O
InChIInChI=1S/C16H20N2O3/c1-3-18(12(2)9-16(19)20)11-14-10-15(21-17-14)13-7-5-4-6-8-13/h4-8,10,12H,3,9,11H2,1-2H3,(H,19,20)
InChIKeyUPTKGISJKMWHHB-UHFFFAOYSA-N
XLogP3.03
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propan-2-ylamino]acetic acid
CID 60840315
3-[ethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid
CID 62828358
3-[ethyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]butanoic acid
CID 62828179
3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 61009666
3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 60988202
2-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 62820490
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-propylacetamide
CID 42656369
N-butan-2-yl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878276
2-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]ethanol
CID 60683924
3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid
CID 53414694
4-methyl-N-(2-methylpropyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 51070311
3-[ethyl-[(2-hydroxyphenyl)methyl]amino]butanoic acid
CID 65060655

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid?
The IUPAC name of 3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid (CID 62825872) is 3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid?
The canonical SMILES for 3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid is CCN(Cc1cc(-c2ccccc2)on1)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid?
The InChIKey is UPTKGISJKMWHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-18(12(2)9-16(19)20)11-14-10-15(21-17-14)13-7-5-4-6-8-13/h4-8,10,12H,3,9,11H2,1-2H3,(H,19,20).
What are the key properties of 3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid?
3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid has a molecular weight of 288.35 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid is sourced from PubChem (CID 62825872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).