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

C14H18N2O3S — CID 62852990

IUPAC3-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1cc(-c2cccs2)on1)CC(C)C(=O)O
InChIInChI=1S/C14H18N2O3S/c1-3-16(8-10(2)14(17)18)9-11-7-12(19-15-11)13-5-4-6-20-13/h4-7,10H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyAAOVYRGZDQMMOR-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.95
Rot. Bonds7

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

3-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid (PubChem CID 62852990) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid
PubChem CID62852990
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name3-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1cc(-c2cccs2)on1)CC(C)C(=O)O
InChIInChI=1S/C14H18N2O3S/c1-3-16(8-10(2)14(17)18)9-11-7-12(19-15-11)13-5-4-6-20-13/h4-7,10H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyAAOVYRGZDQMMOR-UHFFFAOYSA-N
XLogP2.95
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl(2-thiophen-2-ylethyl)amino]-2-methylpropanoic acid
CID 63774209
2-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 62819965
2-amino-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propanoic acid
CID 170879419
N-butan-2-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879446
3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 61009666
N-(3-methylbutyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879449
3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid
CID 62825872
3-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid
CID 115529580
3-[(4,5-dibromothiophen-2-yl)methyl-ethylamino]-2-methylpropanoic acid
CID 102845028
2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid
CID 116889272
(2S)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 61137275
(2R)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 79010933

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid (CID 62852990) is 3-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid is CCN(Cc1cc(-c2cccs2)on1)CC(C)C(=O)O.
What is the InChIKey of 3-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid?
The InChIKey is AAOVYRGZDQMMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-3-16(8-10(2)14(17)18)9-11-7-12(19-15-11)13-5-4-6-20-13/h4-7,10H,3,8-9H2,1-2H3,(H,17,18).
What are the key properties of 3-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid?
3-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid has a molecular weight of 294.38 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62852990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).