2-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]acetic acid

C14H12N4O3 — CID 107461356

IUPAC2-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn(Cc2coc(-c3ccccc3)n2)nn1
InChIInChI=1S/C14H12N4O3/c19-13(20)6-11-7-18(17-16-11)8-12-9-21-14(15-12)10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,19,20)
InChIKeyHZDFBAFDXMKTRA-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.61
Rot. Bonds5

About 2-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]acetic acid

2-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]acetic acid (PubChem CID 107461356) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]acetic acid
PubChem CID107461356
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name2-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn(Cc2coc(-c3ccccc3)n2)nn1
InChIInChI=1S/C14H12N4O3/c19-13(20)6-11-7-18(17-16-11)8-12-9-21-14(15-12)10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,19,20)
InChIKeyHZDFBAFDXMKTRA-UHFFFAOYSA-N
XLogP1.61
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-phenyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxylic acid
CID 62059606
2-[1-(quinolin-2-ylmethyl)triazol-4-yl]acetic acid
CID 107461815
1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxylic acid
CID 62060574
4-[[4-(2-bromoethyl)triazol-1-yl]methyl]-2-(4-chlorophenyl)-1,3-oxazole
CID 62396009
2-[(2-amino-2-oxoethyl)-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]acetic acid
CID 107440765
1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carbaldehyde
CID 66214186
3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
CID 164836493
(3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol
CID 79411338
2-[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]acetic acid
CID 107461349
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]acetic acid
CID 107461617
4-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63720352
2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]acetic acid
CID 107461745

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]acetic acid?
The IUPAC name of 2-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]acetic acid (CID 107461356) is 2-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]acetic acid is O=C(O)Cc1cn(Cc2coc(-c3ccccc3)n2)nn1.
What is the InChIKey of 2-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]acetic acid?
The InChIKey is HZDFBAFDXMKTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c19-13(20)6-11-7-18(17-16-11)8-12-9-21-14(15-12)10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,19,20).
What are the key properties of 2-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]acetic acid?
2-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]acetic acid has a molecular weight of 284.28 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]acetic acid is sourced from PubChem (CID 107461356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).