2-(4-fluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole

C17H12FN3O — CID 139216508

IUPAC2-(4-fluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole
SMILESCn1nc(-c2cnc(-c3ccc(F)cc3)o2)c2ccccc21
InChIInChI=1S/C17H12FN3O/c1-21-14-5-3-2-4-13(14)16(20-21)15-10-19-17(22-15)11-6-8-12(18)9-7-11/h2-10H,1H3
InChIKeyLXOMTWUATCGZQM-UHFFFAOYSA-N
MW293.30 g/mol
LogP4.03
Rot. Bonds2

About 2-(4-fluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole

2-(4-fluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole (PubChem CID 139216508) has the molecular formula C17H12FN3O and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole
PubChem CID139216508
Molecular FormulaC17H12FN3O
Molecular Weight293.30 g/mol
Exact Mass293.10
IUPAC Name2-(4-fluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole
SMILESCn1nc(-c2cnc(-c3ccc(F)cc3)o2)c2ccccc21
InChIInChI=1S/C17H12FN3O/c1-21-14-5-3-2-4-13(14)16(20-21)15-10-19-17(22-15)11-6-8-12(18)9-7-11/h2-10H,1H3
InChIKeyLXOMTWUATCGZQM-UHFFFAOYSA-N
XLogP4.03
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole?
The IUPAC name of 2-(4-fluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole (CID 139216508) is 2-(4-fluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole is Cn1nc(-c2cnc(-c3ccc(F)cc3)o2)c2ccccc21.
What is the InChIKey of 2-(4-fluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole?
The InChIKey is LXOMTWUATCGZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O/c1-21-14-5-3-2-4-13(14)16(20-21)15-10-19-17(22-15)11-6-8-12(18)9-7-11/h2-10H,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole?
2-(4-fluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole has a molecular weight of 293.30 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole is sourced from PubChem (CID 139216508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).