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

C17H11F2N3O — CID 139216513

IUPAC2-(3,4-difluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole
SMILESCn1nc(-c2cnc(-c3ccc(F)c(F)c3)o2)c2ccccc21
InChIInChI=1S/C17H11F2N3O/c1-22-14-5-3-2-4-11(14)16(21-22)15-9-20-17(23-15)10-6-7-12(18)13(19)8-10/h2-9H,1H3
InChIKeyQZKWLDLQRQTJLR-UHFFFAOYSA-N
MW311.29 g/mol
LogP4.17
Rot. Bonds2

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

2-(3,4-difluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole (PubChem CID 139216513) has the molecular formula C17H11F2N3O and a molecular weight of 311.29 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole
PubChem CID139216513
Molecular FormulaC17H11F2N3O
Molecular Weight311.29 g/mol
Exact Mass311.09
IUPAC Name2-(3,4-difluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole
SMILESCn1nc(-c2cnc(-c3ccc(F)c(F)c3)o2)c2ccccc21
InChIInChI=1S/C17H11F2N3O/c1-22-14-5-3-2-4-11(14)16(21-22)15-9-20-17(23-15)10-6-7-12(18)13(19)8-10/h2-9H,1H3
InChIKeyQZKWLDLQRQTJLR-UHFFFAOYSA-N
XLogP4.17
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole?
The IUPAC name of 2-(3,4-difluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole (CID 139216513) is 2-(3,4-difluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole.
What is the SMILES notation for 2-(3,4-difluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole?
The canonical SMILES for 2-(3,4-difluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole is Cn1nc(-c2cnc(-c3ccc(F)c(F)c3)o2)c2ccccc21.
What is the InChIKey of 2-(3,4-difluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole?
The InChIKey is QZKWLDLQRQTJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O/c1-22-14-5-3-2-4-11(14)16(21-22)15-9-20-17(23-15)10-6-7-12(18)13(19)8-10/h2-9H,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole?
2-(3,4-difluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole has a molecular weight of 311.29 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-5-(1-methylindazol-3-yl)-1,3-oxazole is sourced from PubChem (CID 139216513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).