3-[5-(3-methyl-1,2-oxazol-5-yl)-4-phenylimidazol-1-yl]propanoic acid

C16H15N3O3 — CID 70783823

IUPAC3-[5-(3-methyl-1,2-oxazol-5-yl)-4-phenylimidazol-1-yl]propanoic acid
SMILESCc1cc(-c2c(-c3ccccc3)ncn2CCC(=O)O)on1
InChIInChI=1S/C16H15N3O3/c1-11-9-13(22-18-11)16-15(12-5-3-2-4-6-12)17-10-19(16)8-7-14(20)21/h2-6,9-10H,7-8H2,1H3,(H,20,21)
InChIKeyCKHXPJJJKNTASV-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.99
Rot. Bonds5

About 3-[5-(3-methyl-1,2-oxazol-5-yl)-4-phenylimidazol-1-yl]propanoic acid

3-[5-(3-methyl-1,2-oxazol-5-yl)-4-phenylimidazol-1-yl]propanoic acid (PubChem CID 70783823) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-[5-(3-methyl-1,2-oxazol-5-yl)-4-phenylimidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(3-methyl-1,2-oxazol-5-yl)-4-phenylimidazol-1-yl]propanoic acid
PubChem CID70783823
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name3-[5-(3-methyl-1,2-oxazol-5-yl)-4-phenylimidazol-1-yl]propanoic acid
SMILESCc1cc(-c2c(-c3ccccc3)ncn2CCC(=O)O)on1
InChIInChI=1S/C16H15N3O3/c1-11-9-13(22-18-11)16-15(12-5-3-2-4-6-12)17-10-19(16)8-7-14(20)21/h2-6,9-10H,7-8H2,1H3,(H,20,21)
InChIKeyCKHXPJJJKNTASV-UHFFFAOYSA-N
XLogP2.99
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-diphenyl-1-propylimidazole
CID 14950648
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N-cyclopropyl-3-(4,5-diphenylimidazol-1-yl)propanamide
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3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanoic acid
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3-(4-methyl-2-phenylpyrrol-1-yl)propanoic acid
CID 82363949
2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)acetic acid
CID 70723096
3-[3-[3-(2-hydroxyethyl)-5-phenylimidazol-4-yl]indol-1-yl]propanamide
CID 50972954
3-[4-phenyl-5-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-1-yl]propanamide
CID 56868549
2-[5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-4-phenylimidazol-1-yl]ethanol
CID 50953740
2-[3-[(4-methylthiadiazol-5-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid
CID 50982647
3-methyl-5-(2-phenylphenyl)-1,2-oxazole
CID 123870011

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methyl-1,2-oxazol-5-yl)-4-phenylimidazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-(3-methyl-1,2-oxazol-5-yl)-4-phenylimidazol-1-yl]propanoic acid (CID 70783823) is 3-[5-(3-methyl-1,2-oxazol-5-yl)-4-phenylimidazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-(3-methyl-1,2-oxazol-5-yl)-4-phenylimidazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-(3-methyl-1,2-oxazol-5-yl)-4-phenylimidazol-1-yl]propanoic acid is Cc1cc(-c2c(-c3ccccc3)ncn2CCC(=O)O)on1.
What is the InChIKey of 3-[5-(3-methyl-1,2-oxazol-5-yl)-4-phenylimidazol-1-yl]propanoic acid?
The InChIKey is CKHXPJJJKNTASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-11-9-13(22-18-11)16-15(12-5-3-2-4-6-12)17-10-19(16)8-7-14(20)21/h2-6,9-10H,7-8H2,1H3,(H,20,21).
What are the key properties of 3-[5-(3-methyl-1,2-oxazol-5-yl)-4-phenylimidazol-1-yl]propanoic acid?
3-[5-(3-methyl-1,2-oxazol-5-yl)-4-phenylimidazol-1-yl]propanoic acid has a molecular weight of 297.31 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-methyl-1,2-oxazol-5-yl)-4-phenylimidazol-1-yl]propanoic acid is sourced from PubChem (CID 70783823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).