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

C14H12FN3O2 — CID 171644781

IUPAC3-[[5-(1-fluorocyclopropyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole
SMILESFC1(c2cc3cn[nH]c3cc2OCc2ccon2)CC1
InChIInChI=1S/C14H12FN3O2/c15-14(2-3-14)11-5-9-7-16-17-12(9)6-13(11)19-8-10-1-4-20-18-10/h1,4-7H,2-3,8H2,(H,16,17)
InChIKeyRLLMAKVZEWEANX-UHFFFAOYSA-N
MW273.27 g/mol
LogP3.09
Rot. Bonds4

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

3-[[5-(1-fluorocyclopropyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole (PubChem CID 171644781) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 3-[[5-(1-fluorocyclopropyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[5-(1-fluorocyclopropyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole
PubChem CID171644781
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name3-[[5-(1-fluorocyclopropyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole
SMILESFC1(c2cc3cn[nH]c3cc2OCc2ccon2)CC1
InChIInChI=1S/C14H12FN3O2/c15-14(2-3-14)11-5-9-7-16-17-12(9)6-13(11)19-8-10-1-4-20-18-10/h1,4-7H,2-3,8H2,(H,16,17)
InChIKeyRLLMAKVZEWEANX-UHFFFAOYSA-N
XLogP3.09
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
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-(1-fluorocyclopropyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole?
The IUPAC name of 3-[[5-(1-fluorocyclopropyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole (CID 171644781) is 3-[[5-(1-fluorocyclopropyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole.
What is the SMILES notation for 3-[[5-(1-fluorocyclopropyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole?
The canonical SMILES for 3-[[5-(1-fluorocyclopropyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole is FC1(c2cc3cn[nH]c3cc2OCc2ccon2)CC1.
What is the InChIKey of 3-[[5-(1-fluorocyclopropyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole?
The InChIKey is RLLMAKVZEWEANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c15-14(2-3-14)11-5-9-7-16-17-12(9)6-13(11)19-8-10-1-4-20-18-10/h1,4-7H,2-3,8H2,(H,16,17).
What are the key properties of 3-[[5-(1-fluorocyclopropyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole?
3-[[5-(1-fluorocyclopropyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole has a molecular weight of 273.27 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(1-fluorocyclopropyl)-1H-indazol-6-yl]oxymethyl]-1,2-oxazole is sourced from PubChem (CID 171644781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).