2-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoic acid

C15H12ClN3O3 — CID 18376458

IUPAC2-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoic acid
SMILESCC(C(=O)O)c1oc(-n2ccnc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O3/c1-9(14(20)21)13-12(10-2-4-11(16)5-3-10)18-15(22-13)19-7-6-17-8-19/h2-9H,1H3,(H,20,21)
InChIKeyBRUOAGWHSORUTO-UHFFFAOYSA-N
MW317.73 g/mol
LogP3.37
Rot. Bonds4

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

2-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoic acid (PubChem CID 18376458) has the molecular formula C15H12ClN3O3 and a molecular weight of 317.73 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoic acid
PubChem CID18376458
Molecular FormulaC15H12ClN3O3
Molecular Weight317.73 g/mol
Exact Mass317.06
IUPAC Name2-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoic acid
SMILESCC(C(=O)O)c1oc(-n2ccnc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O3/c1-9(14(20)21)13-12(10-2-4-11(16)5-3-10)18-15(22-13)19-7-6-17-8-19/h2-9H,1H3,(H,20,21)
InChIKeyBRUOAGWHSORUTO-UHFFFAOYSA-N
XLogP3.37
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoic acid (CID 18376458) is 2-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoic acid is CC(C(=O)O)c1oc(-n2ccnc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoic acid?
The InChIKey is BRUOAGWHSORUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3/c1-9(14(20)21)13-12(10-2-4-11(16)5-3-10)18-15(22-13)19-7-6-17-8-19/h2-9H,1H3,(H,20,21).
What are the key properties of 2-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoic acid?
2-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoic acid has a molecular weight of 317.73 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-2-imidazol-1-yl-1,3-oxazol-5-yl]propanoic acid is sourced from PubChem (CID 18376458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).