2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-oxazole

C18H14FN3O — CID 21334395

IUPAC2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-oxazole
SMILESCc1coc(-c2nn(Cc3ccccc3F)c3ccccc23)n1
InChIInChI=1S/C18H14FN3O/c1-12-11-23-18(20-12)17-14-7-3-5-9-16(14)22(21-17)10-13-6-2-4-8-15(13)19/h2-9,11H,10H2,1H3
InChIKeyUXSXVQGQWGRLIO-UHFFFAOYSA-N
MW307.33 g/mol
LogP4.19
Rot. Bonds3

About 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-oxazole

2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-oxazole (PubChem CID 21334395) has the molecular formula C18H14FN3O and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-oxazole
PubChem CID21334395
Molecular FormulaC18H14FN3O
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-oxazole
SMILESCc1coc(-c2nn(Cc3ccccc3F)c3ccccc23)n1
InChIInChI=1S/C18H14FN3O/c1-12-11-23-18(20-12)17-14-7-3-5-9-16(14)22(21-17)10-13-6-2-4-8-15(13)19/h2-9,11H,10H2,1H3
InChIKeyUXSXVQGQWGRLIO-UHFFFAOYSA-N
XLogP4.19
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-oxazole?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-oxazole (CID 21334395) is 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-oxazole?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-oxazole is Cc1coc(-c2nn(Cc3ccccc3F)c3ccccc23)n1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-oxazole?
The InChIKey is UXSXVQGQWGRLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O/c1-12-11-23-18(20-12)17-14-7-3-5-9-16(14)22(21-17)10-13-6-2-4-8-15(13)19/h2-9,11H,10H2,1H3.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-oxazole?
2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-oxazole has a molecular weight of 307.33 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-oxazole is sourced from PubChem (CID 21334395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).