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

C12H10ClN3O2 — CID 171644744

IUPAC3-[(5-chloro-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(COc2cc3[nH]ncc3cc2Cl)no1
InChIInChI=1S/C12H10ClN3O2/c1-7-2-9(16-18-7)6-17-12-4-11-8(3-10(12)13)5-14-15-11/h2-5H,6H2,1H3,(H,14,15)
InChIKeyIYDDJSUVCUEQJU-UHFFFAOYSA-N
MW263.68 g/mol
LogP3.09
Rot. Bonds3

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

3-[(5-chloro-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole (PubChem CID 171644744) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 3-[(5-chloro-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(5-chloro-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole
PubChem CID171644744
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name3-[(5-chloro-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(COc2cc3[nH]ncc3cc2Cl)no1
InChIInChI=1S/C12H10ClN3O2/c1-7-2-9(16-18-7)6-17-12-4-11-8(3-10(12)13)5-14-15-11/h2-5H,6H2,1H3,(H,14,15)
InChIKeyIYDDJSUVCUEQJU-UHFFFAOYSA-N
XLogP3.09
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(5-chloro-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole (CID 171644744) is 3-[(5-chloro-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(5-chloro-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(5-chloro-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole is Cc1cc(COc2cc3[nH]ncc3cc2Cl)no1.
What is the InChIKey of 3-[(5-chloro-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole?
The InChIKey is IYDDJSUVCUEQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-7-2-9(16-18-7)6-17-12-4-11-8(3-10(12)13)5-14-15-11/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 3-[(5-chloro-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole?
3-[(5-chloro-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole has a molecular weight of 263.68 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1H-indazol-6-yl)oxymethyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 171644744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).