1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid

C19H13ClN2O3 — CID 22394375

IUPAC1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C19H13ClN2O3/c20-14-7-5-12(6-8-14)18-10-15(21-25-18)11-22-16-4-2-1-3-13(16)9-17(22)19(23)24/h1-10H,11H2,(H,23,24)
InChIKeyBXFXPFGAFHCTJK-UHFFFAOYSA-N
MW352.78 g/mol
LogP4.70
Rot. Bonds4

About 1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid

1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid (PubChem CID 22394375) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is 1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid
PubChem CID22394375
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC Name1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C19H13ClN2O3/c20-14-7-5-12(6-8-14)18-10-15(21-25-18)11-22-16-4-2-1-3-13(16)9-17(22)19(23)24/h1-10H,11H2,(H,23,24)
InChIKeyBXFXPFGAFHCTJK-UHFFFAOYSA-N
XLogP4.70
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid?
The IUPAC name of 1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid (CID 22394375) is 1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid.
What is the SMILES notation for 1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid?
The canonical SMILES for 1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid is O=C(O)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid?
The InChIKey is BXFXPFGAFHCTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/c20-14-7-5-12(6-8-14)18-10-15(21-25-18)11-22-16-4-2-1-3-13(16)9-17(22)19(23)24/h1-10H,11H2,(H,23,24).
What are the key properties of 1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid?
1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid has a molecular weight of 352.78 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid is sourced from PubChem (CID 22394375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).