3-[(5-chloro-4-fluoro-1H-indazol-6-yl)oxymethyl]-1,2-oxazole

C11H7ClFN3O2 — CID 171644852

IUPAC3-[(5-chloro-4-fluoro-1H-indazol-6-yl)oxymethyl]-1,2-oxazole
SMILESFc1c(Cl)c(OCc2ccon2)cc2[nH]ncc12
InChIInChI=1S/C11H7ClFN3O2/c12-10-9(17-5-6-1-2-18-16-6)3-8-7(11(10)13)4-14-15-8/h1-4H,5H2,(H,14,15)
InChIKeyMKCYMUDUWFQUQO-UHFFFAOYSA-N
MW267.65 g/mol
LogP2.92
Rot. Bonds3

About 3-[(5-chloro-4-fluoro-1H-indazol-6-yl)oxymethyl]-1,2-oxazole

3-[(5-chloro-4-fluoro-1H-indazol-6-yl)oxymethyl]-1,2-oxazole (PubChem CID 171644852) has the molecular formula C11H7ClFN3O2 and a molecular weight of 267.65 g/mol. Its IUPAC name is 3-[(5-chloro-4-fluoro-1H-indazol-6-yl)oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[(5-chloro-4-fluoro-1H-indazol-6-yl)oxymethyl]-1,2-oxazole
PubChem CID171644852
Molecular FormulaC11H7ClFN3O2
Molecular Weight267.65 g/mol
Exact Mass267.02
IUPAC Name3-[(5-chloro-4-fluoro-1H-indazol-6-yl)oxymethyl]-1,2-oxazole
SMILESFc1c(Cl)c(OCc2ccon2)cc2[nH]ncc12
InChIInChI=1S/C11H7ClFN3O2/c12-10-9(17-5-6-1-2-18-16-6)3-8-7(11(10)13)4-14-15-8/h1-4H,5H2,(H,14,15)
InChIKeyMKCYMUDUWFQUQO-UHFFFAOYSA-N
XLogP2.92
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.65
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-4-fluoro-1H-indazol-6-yl)oxymethyl]-1,2-oxazole?
The IUPAC name of 3-[(5-chloro-4-fluoro-1H-indazol-6-yl)oxymethyl]-1,2-oxazole (CID 171644852) is 3-[(5-chloro-4-fluoro-1H-indazol-6-yl)oxymethyl]-1,2-oxazole.
What is the SMILES notation for 3-[(5-chloro-4-fluoro-1H-indazol-6-yl)oxymethyl]-1,2-oxazole?
The canonical SMILES for 3-[(5-chloro-4-fluoro-1H-indazol-6-yl)oxymethyl]-1,2-oxazole is Fc1c(Cl)c(OCc2ccon2)cc2[nH]ncc12.
What is the InChIKey of 3-[(5-chloro-4-fluoro-1H-indazol-6-yl)oxymethyl]-1,2-oxazole?
The InChIKey is MKCYMUDUWFQUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3O2/c12-10-9(17-5-6-1-2-18-16-6)3-8-7(11(10)13)4-14-15-8/h1-4H,5H2,(H,14,15).
What are the key properties of 3-[(5-chloro-4-fluoro-1H-indazol-6-yl)oxymethyl]-1,2-oxazole?
3-[(5-chloro-4-fluoro-1H-indazol-6-yl)oxymethyl]-1,2-oxazole has a molecular weight of 267.65 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-4-fluoro-1H-indazol-6-yl)oxymethyl]-1,2-oxazole is sourced from PubChem (CID 171644852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).