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

C19H14ClN3O3 — CID 21088594

IUPAC3-[4-(4-chlorophenyl)-2-indazol-1-yl-1,3-oxazol-5-yl]propanoic acid
SMILESO=C(O)CCc1oc(-n2ncc3ccccc32)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O3/c20-14-7-5-12(6-8-14)18-16(9-10-17(24)25)26-19(22-18)23-15-4-2-1-3-13(15)11-21-23/h1-8,11H,9-10H2,(H,24,25)
InChIKeyZUNPRRZYPBOJSC-UHFFFAOYSA-N
MW367.79 g/mol
LogP4.35
Rot. Bonds5

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

3-[4-(4-chlorophenyl)-2-indazol-1-yl-1,3-oxazol-5-yl]propanoic acid (PubChem CID 21088594) has the molecular formula C19H14ClN3O3 and a molecular weight of 367.79 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-2-indazol-1-yl-1,3-oxazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-2-indazol-1-yl-1,3-oxazol-5-yl]propanoic acid
PubChem CID21088594
Molecular FormulaC19H14ClN3O3
Molecular Weight367.79 g/mol
Exact Mass367.07
IUPAC Name3-[4-(4-chlorophenyl)-2-indazol-1-yl-1,3-oxazol-5-yl]propanoic acid
SMILESO=C(O)CCc1oc(-n2ncc3ccccc32)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O3/c20-14-7-5-12(6-8-14)18-16(9-10-17(24)25)26-19(22-18)23-15-4-2-1-3-13(15)11-21-23/h1-8,11H,9-10H2,(H,24,25)
InChIKeyZUNPRRZYPBOJSC-UHFFFAOYSA-N
XLogP4.35
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-2-indazol-1-yl-1,3-oxazol-5-yl]propanoic acid?
The IUPAC name of 3-[4-(4-chlorophenyl)-2-indazol-1-yl-1,3-oxazol-5-yl]propanoic acid (CID 21088594) is 3-[4-(4-chlorophenyl)-2-indazol-1-yl-1,3-oxazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-2-indazol-1-yl-1,3-oxazol-5-yl]propanoic acid?
The canonical SMILES for 3-[4-(4-chlorophenyl)-2-indazol-1-yl-1,3-oxazol-5-yl]propanoic acid is O=C(O)CCc1oc(-n2ncc3ccccc32)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-2-indazol-1-yl-1,3-oxazol-5-yl]propanoic acid?
The InChIKey is ZUNPRRZYPBOJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3/c20-14-7-5-12(6-8-14)18-16(9-10-17(24)25)26-19(22-18)23-15-4-2-1-3-13(15)11-21-23/h1-8,11H,9-10H2,(H,24,25).
What are the key properties of 3-[4-(4-chlorophenyl)-2-indazol-1-yl-1,3-oxazol-5-yl]propanoic acid?
3-[4-(4-chlorophenyl)-2-indazol-1-yl-1,3-oxazol-5-yl]propanoic acid has a molecular weight of 367.79 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-2-indazol-1-yl-1,3-oxazol-5-yl]propanoic acid is sourced from PubChem (CID 21088594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).