[4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-5-yl]methanol

C20H18FN3O2 — CID 18416641

IUPAC[4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-5-yl]methanol
SMILESCCc1nc(-c2nn(Cc3ccccc3F)c3ccccc23)oc1CO
InChIInChI=1S/C20H18FN3O2/c1-2-16-18(12-25)26-20(22-16)19-14-8-4-6-10-17(14)24(23-19)11-13-7-3-5-9-15(13)21/h3-10,25H,2,11-12H2,1H3
InChIKeyJMEORINCEXSANP-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.93
Rot. Bonds5

About [4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-5-yl]methanol

[4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-5-yl]methanol (PubChem CID 18416641) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is [4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-5-yl]methanol
PubChem CID18416641
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name[4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-5-yl]methanol
SMILESCCc1nc(-c2nn(Cc3ccccc3F)c3ccccc23)oc1CO
InChIInChI=1S/C20H18FN3O2/c1-2-16-18(12-25)26-20(22-16)19-14-8-4-6-10-17(14)24(23-19)11-13-7-3-5-9-15(13)21/h3-10,25H,2,11-12H2,1H3
InChIKeyJMEORINCEXSANP-UHFFFAOYSA-N
XLogP3.93
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-5-yl]methanol?
The IUPAC name of [4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-5-yl]methanol (CID 18416641) is [4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-5-yl]methanol.
What is the SMILES notation for [4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-5-yl]methanol?
The canonical SMILES for [4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-5-yl]methanol is CCc1nc(-c2nn(Cc3ccccc3F)c3ccccc23)oc1CO.
What is the InChIKey of [4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-5-yl]methanol?
The InChIKey is JMEORINCEXSANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-2-16-18(12-25)26-20(22-16)19-14-8-4-6-10-17(14)24(23-19)11-13-7-3-5-9-15(13)21/h3-10,25H,2,11-12H2,1H3.
What are the key properties of [4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-5-yl]methanol?
[4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-5-yl]methanol has a molecular weight of 351.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-1,3-oxazol-5-yl]methanol is sourced from PubChem (CID 18416641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).