2-amino-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propanoic acid

C10H10N2O3S — CID 170879419

IUPAC2-amino-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propanoic acid
SMILESNC(Cc1cc(-c2cccs2)on1)C(=O)O
InChIInChI=1S/C10H10N2O3S/c11-7(10(13)14)4-6-5-8(15-12-6)9-2-1-3-16-9/h1-3,5,7H,4,11H2,(H,13,14)
InChIKeyURBQFJUTFKGWPT-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.36
Rot. Bonds4

About 2-amino-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propanoic acid

2-amino-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propanoic acid (PubChem CID 170879419) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-amino-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propanoic acid
PubChem CID170879419
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name2-amino-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propanoic acid
SMILESNC(Cc1cc(-c2cccs2)on1)C(=O)O
InChIInChI=1S/C10H10N2O3S/c11-7(10(13)14)4-6-5-8(15-12-6)9-2-1-3-16-9/h1-3,5,7H,4,11H2,(H,13,14)
InChIKeyURBQFJUTFKGWPT-UHFFFAOYSA-N
XLogP1.36
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate
CID 8648321
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)acetate
CID 8749702
3-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 62852990
N-(3-methylbutyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879449
3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propan-1-ol
CID 170887655
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-oxo-4-phenylbutanoate
CID 26530325
N-prop-2-ynyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
CID 71930483
N-butan-2-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879446
(2S)-2-amino-3-(2-thiophen-2-yl-1H-imidazol-5-yl)propanoic acid
CID 57081090
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-propan-2-yloxybenzoate
CID 8751669
2-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 62819965
3-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867616

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propanoic acid (CID 170879419) is 2-amino-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propanoic acid is NC(Cc1cc(-c2cccs2)on1)C(=O)O.
What is the InChIKey of 2-amino-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propanoic acid?
The InChIKey is URBQFJUTFKGWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c11-7(10(13)14)4-6-5-8(15-12-6)9-2-1-3-16-9/h1-3,5,7H,4,11H2,(H,13,14).
What are the key properties of 2-amino-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propanoic acid?
2-amino-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propanoic acid has a molecular weight of 238.27 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propanoic acid is sourced from PubChem (CID 170879419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).