5-(1-methylindazol-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole

C18H12F3N3O — CID 139216511

IUPAC5-(1-methylindazol-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCn1nc(-c2cnc(-c3cccc(C(F)(F)F)c3)o2)c2ccccc21
InChIInChI=1S/C18H12F3N3O/c1-24-14-8-3-2-7-13(14)16(23-24)15-10-22-17(25-15)11-5-4-6-12(9-11)18(19,20)21/h2-10H,1H3
InChIKeyUGICQANTXBRWAJ-UHFFFAOYSA-N
MW343.31 g/mol
LogP4.91
Rot. Bonds2

About 5-(1-methylindazol-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole

5-(1-methylindazol-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 139216511) has the molecular formula C18H12F3N3O and a molecular weight of 343.31 g/mol. Its IUPAC name is 5-(1-methylindazol-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(1-methylindazol-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID139216511
Molecular FormulaC18H12F3N3O
Molecular Weight343.31 g/mol
Exact Mass343.09
IUPAC Name5-(1-methylindazol-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCn1nc(-c2cnc(-c3cccc(C(F)(F)F)c3)o2)c2ccccc21
InChIInChI=1S/C18H12F3N3O/c1-24-14-8-3-2-7-13(14)16(23-24)15-10-22-17(25-15)11-5-4-6-12(9-11)18(19,20)21/h2-10H,1H3
InChIKeyUGICQANTXBRWAJ-UHFFFAOYSA-N
XLogP4.91
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylindazol-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of 5-(1-methylindazol-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole (CID 139216511) is 5-(1-methylindazol-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 5-(1-methylindazol-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 5-(1-methylindazol-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole is Cn1nc(-c2cnc(-c3cccc(C(F)(F)F)c3)o2)c2ccccc21.
What is the InChIKey of 5-(1-methylindazol-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is UGICQANTXBRWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O/c1-24-14-8-3-2-7-13(14)16(23-24)15-10-22-17(25-15)11-5-4-6-12(9-11)18(19,20)21/h2-10H,1H3.
What are the key properties of 5-(1-methylindazol-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole?
5-(1-methylindazol-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 343.31 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylindazol-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 139216511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).