4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]benzoic acid

C15H13N3O3 — CID 56867525

IUPAC4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]benzoic acid
SMILESCc1cc(Cn2ccnc2-c2ccc(C(=O)O)cc2)no1
InChIInChI=1S/C15H13N3O3/c1-10-8-13(17-21-10)9-18-7-6-16-14(18)11-2-4-12(5-3-11)15(19)20/h2-8H,9H2,1H3,(H,19,20)
InChIKeyZWFVCCZQFPYMSH-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.59
Rot. Bonds4

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

4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]benzoic acid (PubChem CID 56867525) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]benzoic acid
PubChem CID56867525
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]benzoic acid
SMILESCc1cc(Cn2ccnc2-c2ccc(C(=O)O)cc2)no1
InChIInChI=1S/C15H13N3O3/c1-10-8-13(17-21-10)9-18-7-6-16-14(18)11-2-4-12(5-3-11)15(19)20/h2-8H,9H2,1H3,(H,19,20)
InChIKeyZWFVCCZQFPYMSH-UHFFFAOYSA-N
XLogP2.59
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]benzoic acid?
The IUPAC name of 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]benzoic acid (CID 56867525) is 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]benzoic acid.
What is the SMILES notation for 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]benzoic acid?
The canonical SMILES for 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]benzoic acid is Cc1cc(Cn2ccnc2-c2ccc(C(=O)O)cc2)no1.
What is the InChIKey of 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]benzoic acid?
The InChIKey is ZWFVCCZQFPYMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-10-8-13(17-21-10)9-18-7-6-16-14(18)11-2-4-12(5-3-11)15(19)20/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]benzoic acid?
4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]benzoic acid has a molecular weight of 283.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]benzoic acid is sourced from PubChem (CID 56867525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).