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

C15H13FN2O3 — CID 79272513

IUPAC2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)Cc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C15H13FN2O3/c1-2-6-18(9-14(19)20)8-13-10-21-15(17-13)11-4-3-5-12(16)7-11/h1,3-5,7,10H,6,8-9H2,(H,19,20)
InChIKeyQXRRAQGRUDZQQG-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.00
Rot. Bonds6

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

2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-ynylamino]acetic acid (PubChem CID 79272513) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-ynylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-ynylamino]acetic acid
PubChem CID79272513
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)Cc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C15H13FN2O3/c1-2-6-18(9-14(19)20)8-13-10-21-15(17-13)11-4-3-5-12(16)7-11/h1,3-5,7,10H,6,8-9H2,(H,19,20)
InChIKeyQXRRAQGRUDZQQG-UHFFFAOYSA-N
XLogP2.00
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-ynylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-ynylamino]acetic acid
CID 79270207
2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-enylamino]acetic acid
CID 79269730
2-[(2-amino-2-oxoethyl)-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]acetic acid
CID 107440765
2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole
CID 78860401
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide
CID 166392291
2-[(3,5-difluorophenyl)methyl-prop-2-ynylamino]acetic acid
CID 105404684
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-ynylamino]acetic acid
CID 79284633
2-[cyclopropyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]acetic acid
CID 60835152
2-[(4-fluoro-2-methylphenyl)methyl-prop-2-ynylamino]acetic acid
CID 79282964
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-ynylamino]acetic acid
CID 79269993
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylbutan-2-amine
CID 56662465
3-[[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]benzonitrile
CID 86931123

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-ynylamino]acetic acid?
The IUPAC name of 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-ynylamino]acetic acid (CID 79272513) is 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-ynylamino]acetic acid.
What is the SMILES notation for 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-ynylamino]acetic acid?
The canonical SMILES for 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-ynylamino]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-ynylamino]acetic acid?
The InChIKey is QXRRAQGRUDZQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-2-6-18(9-14(19)20)8-13-10-21-15(17-13)11-4-3-5-12(16)7-11/h1,3-5,7,10H,6,8-9H2,(H,19,20).
What are the key properties of 2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-ynylamino]acetic acid?
2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-ynylamino]acetic acid has a molecular weight of 288.28 g/mol, XLogP of 2.00, 6 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-ynylamino]acetic acid is sourced from PubChem (CID 79272513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).