3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid

C13H11N3O3 — CID 117395880

IUPAC3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2N2C=NCC2)no1
InChIInChI=1S/C13H11N3O3/c17-13(18)12-7-10(15-19-12)9-3-1-2-4-11(9)16-6-5-14-8-16/h1-4,7-8H,5-6H2,(H,17,18)
InChIKeyAWADQULPEWDCOT-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.89
Rot. Bonds3

About 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid

3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 117395880) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid
PubChem CID117395880
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2N2C=NCC2)no1
InChIInChI=1S/C13H11N3O3/c17-13(18)12-7-10(15-19-12)9-3-1-2-4-11(9)16-6-5-14-8-16/h1-4,7-8H,5-6H2,(H,17,18)
InChIKeyAWADQULPEWDCOT-UHFFFAOYSA-N
XLogP1.89
TPSA78.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136998648
3-[2-(3-oxopyrazolidin-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117435286
3-[2-(4-methyltriazol-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117428609
3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)-1,2-oxazole-5-carboxylic acid
CID 117435506
3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1-methylpyrazol-5-amine
CID 117355382
3-[2-(oxan-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117435490
3-[2-(4,5-dihydroimidazol-1-yl)phenyl]propanal
CID 117290887
4-[2-(4,5-dihydroimidazol-1-yl)phenyl]butanoic acid
CID 117336300
3-[2-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117453435
3-isoquinolin-4-yl-1,2-oxazole-5-carboxylic acid
CID 104504438
3-(2-bromo-3-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117452915
3-(3-oxo-4H-1,4-benzoxazin-5-yl)-1,2-oxazole-5-carboxylic acid
CID 117404208

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid (CID 117395880) is 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2ccccc2N2C=NCC2)no1.
What is the InChIKey of 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is AWADQULPEWDCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-13(18)12-7-10(15-19-12)9-3-1-2-4-11(9)16-6-5-14-8-16/h1-4,7-8H,5-6H2,(H,17,18).
What are the key properties of 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117395880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).