5-[(2-phenylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid

C14H11N3O3 — CID 61397272

IUPAC5-[(2-phenylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(Cn2ccnc2-c2ccccc2)on1
InChIInChI=1S/C14H11N3O3/c18-14(19)12-8-11(20-16-12)9-17-7-6-15-13(17)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKeyKDNAOTQDLWPCFY-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.28
Rot. Bonds4

About 5-[(2-phenylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid

5-[(2-phenylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 61397272) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-[(2-phenylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-phenylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID61397272
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name5-[(2-phenylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(Cn2ccnc2-c2ccccc2)on1
InChIInChI=1S/C14H11N3O3/c18-14(19)12-8-11(20-16-12)9-17-7-6-15-13(17)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKeyKDNAOTQDLWPCFY-UHFFFAOYSA-N
XLogP2.28
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397268
5-[(2-phenylimidazol-1-yl)methyl]thiophene-2-carboxylic acid
CID 63377944
2-(2-phenylimidazol-1-yl)acetic acid
CID 3145945
5-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63582424
5-methyl-4-[(2-phenylimidazol-1-yl)methyl]thiophene-2-carboxylic acid
CID 80727244
1-benzyl-2-phenylimidazole;formic acid
CID 158419728
4-(2-phenylimidazol-1-yl)butanoic acid
CID 15307825
benzene-1,2,4-tricarboxylic acid;tris(1-benzyl-2-phenylimidazole)
CID 173037307
2-(2-phenylimidazol-1-yl)acetate
CID 7446830
1-phenyl-2-(2-phenylimidazol-1-yl)ethanone
CID 61069382
4-[(2-phenylimidazol-1-yl)methyl]pyridine
CID 67150298
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
CID 3042995

Frequently Asked Questions

What is the IUPAC name of 5-[(2-phenylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(2-phenylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (CID 61397272) is 5-[(2-phenylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(2-phenylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(2-phenylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(Cn2ccnc2-c2ccccc2)on1.
What is the InChIKey of 5-[(2-phenylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is KDNAOTQDLWPCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-14(19)12-8-11(20-16-12)9-17-7-6-15-13(17)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19).
What are the key properties of 5-[(2-phenylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(2-phenylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-phenylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 61397272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).