2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-enylamino]acetic acid

C15H15FN2O3 — CID 79269730

IUPAC2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)Cc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C15H15FN2O3/c1-2-6-18(9-14(19)20)8-13-10-21-15(17-13)11-4-3-5-12(16)7-11/h2-5,7,10H,1,6,8-9H2,(H,19,20)
InChIKeyYFJFQCQOHDKQKJ-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.55
Rot. Bonds7

About 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-enylamino]acetic acid

2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-enylamino]acetic acid (PubChem CID 79269730) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-enylamino]acetic acid
PubChem CID79269730
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)Cc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C15H15FN2O3/c1-2-6-18(9-14(19)20)8-13-10-21-15(17-13)11-4-3-5-12(16)7-11/h2-5,7,10H,1,6,8-9H2,(H,19,20)
InChIKeyYFJFQCQOHDKQKJ-UHFFFAOYSA-N
XLogP2.55
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-enylamino]acetic acid (CID 79269730) is 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)Cc1coc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-enylamino]acetic acid?
The InChIKey is YFJFQCQOHDKQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-2-6-18(9-14(19)20)8-13-10-21-15(17-13)11-4-3-5-12(16)7-11/h2-5,7,10H,1,6,8-9H2,(H,19,20).
What are the key properties of 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-enylamino]acetic acid?
2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-enylamino]acetic acid has a molecular weight of 290.29 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79269730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).