2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylic acid

C18H12FN3O3 — CID 71016642

IUPAC2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-c2nn(Cc3ccccc3F)c3ccccc23)n1
InChIInChI=1S/C18H12FN3O3/c19-13-7-3-1-5-11(13)9-22-15-8-4-2-6-12(15)16(21-22)17-20-14(10-25-17)18(23)24/h1-8,10H,9H2,(H,23,24)
InChIKeyNDCSRZCGZOCMMX-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.58
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylic acid

2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 71016642) has the molecular formula C18H12FN3O3 and a molecular weight of 337.31 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID71016642
Molecular FormulaC18H12FN3O3
Molecular Weight337.31 g/mol
Exact Mass337.09
IUPAC Name2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-c2nn(Cc3ccccc3F)c3ccccc23)n1
InChIInChI=1S/C18H12FN3O3/c19-13-7-3-1-5-11(13)9-22-15-8-4-2-6-12(15)16(21-22)17-20-14(10-25-17)18(23)24/h1-8,10H,9H2,(H,23,24)
InChIKeyNDCSRZCGZOCMMX-UHFFFAOYSA-N
XLogP3.58
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylic acid (CID 71016642) is 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(-c2nn(Cc3ccccc3F)c3ccccc23)n1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is NDCSRZCGZOCMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O3/c19-13-7-3-1-5-11(13)9-22-15-8-4-2-6-12(15)16(21-22)17-20-14(10-25-17)18(23)24/h1-8,10H,9H2,(H,23,24).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylic acid?
2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 337.31 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 71016642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).