2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]acetic acid

C15H16N2O3 — CID 79276984

IUPAC2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)Cc1ncc(-c2ccccc2)o1
InChIInChI=1S/C15H16N2O3/c1-2-8-17(11-15(18)19)10-14-16-9-13(20-14)12-6-4-3-5-7-12/h2-7,9H,1,8,10-11H2,(H,18,19)
InChIKeyAROWIAYDMGDIDU-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.41
Rot. Bonds7

About 2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]acetic acid

2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]acetic acid (PubChem CID 79276984) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]acetic acid
PubChem CID79276984
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)Cc1ncc(-c2ccccc2)o1
InChIInChI=1S/C15H16N2O3/c1-2-8-17(11-15(18)19)10-14-16-9-13(20-14)12-6-4-3-5-7-12/h2-7,9H,1,8,10-11H2,(H,18,19)
InChIKeyAROWIAYDMGDIDU-UHFFFAOYSA-N
XLogP2.41
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.41
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-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]acetic acid (CID 79276984) is 2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)Cc1ncc(-c2ccccc2)o1.
What is the InChIKey of 2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]acetic acid?
The InChIKey is AROWIAYDMGDIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-8-17(11-15(18)19)10-14-16-9-13(20-14)12-6-4-3-5-7-12/h2-7,9H,1,8,10-11H2,(H,18,19).
What are the key properties of 2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]acetic acid?
2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79276984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).