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

C12H8ClF2N3O2 — CID 171644849

IUPAC3-[(5-chloro-1H-indazol-6-yl)oxy-difluoromethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(C(F)(F)Oc2cc3[nH]ncc3cc2Cl)no1
InChIInChI=1S/C12H8ClF2N3O2/c1-6-2-11(18-20-6)12(14,15)19-10-4-9-7(3-8(10)13)5-16-17-9/h2-5H,1H3,(H,16,17)
InChIKeyIBEMNADNUWTOLU-UHFFFAOYSA-N
MW299.66 g/mol
LogP3.64
Rot. Bonds3

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

3-[(5-chloro-1H-indazol-6-yl)oxy-difluoromethyl]-5-methyl-1,2-oxazole (PubChem CID 171644849) has the molecular formula C12H8ClF2N3O2 and a molecular weight of 299.66 g/mol. Its IUPAC name is 3-[(5-chloro-1H-indazol-6-yl)oxy-difluoromethyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(5-chloro-1H-indazol-6-yl)oxy-difluoromethyl]-5-methyl-1,2-oxazole
PubChem CID171644849
Molecular FormulaC12H8ClF2N3O2
Molecular Weight299.66 g/mol
Exact Mass299.03
IUPAC Name3-[(5-chloro-1H-indazol-6-yl)oxy-difluoromethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(C(F)(F)Oc2cc3[nH]ncc3cc2Cl)no1
InChIInChI=1S/C12H8ClF2N3O2/c1-6-2-11(18-20-6)12(14,15)19-10-4-9-7(3-8(10)13)5-16-17-9/h2-5H,1H3,(H,16,17)
InChIKeyIBEMNADNUWTOLU-UHFFFAOYSA-N
XLogP3.64
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.66
LogP ≤ 53.64
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)oxy-difluoromethyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(5-chloro-1H-indazol-6-yl)oxy-difluoromethyl]-5-methyl-1,2-oxazole (CID 171644849) is 3-[(5-chloro-1H-indazol-6-yl)oxy-difluoromethyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(5-chloro-1H-indazol-6-yl)oxy-difluoromethyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(5-chloro-1H-indazol-6-yl)oxy-difluoromethyl]-5-methyl-1,2-oxazole is Cc1cc(C(F)(F)Oc2cc3[nH]ncc3cc2Cl)no1.
What is the InChIKey of 3-[(5-chloro-1H-indazol-6-yl)oxy-difluoromethyl]-5-methyl-1,2-oxazole?
The InChIKey is IBEMNADNUWTOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N3O2/c1-6-2-11(18-20-6)12(14,15)19-10-4-9-7(3-8(10)13)5-16-17-9/h2-5H,1H3,(H,16,17).
What are the key properties of 3-[(5-chloro-1H-indazol-6-yl)oxy-difluoromethyl]-5-methyl-1,2-oxazole?
3-[(5-chloro-1H-indazol-6-yl)oxy-difluoromethyl]-5-methyl-1,2-oxazole has a molecular weight of 299.66 g/mol, XLogP of 3.64, 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)oxy-difluoromethyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 171644849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).