[2-chloro-6-(trifluoromethyl)phenyl]-[3-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)indazol-1-yl]methanone

C20H14ClF3N4O2 — CID 123767013

IUPAC[2-chloro-6-(trifluoromethyl)phenyl]-[3-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)indazol-1-yl]methanone
SMILESCCc1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cc(-c3nc(C)no3)ccc12
InChIInChI=1S/C20H14ClF3N4O2/c1-3-15-12-8-7-11(18-25-10(2)27-30-18)9-16(12)28(26-15)19(29)17-13(20(22,23)24)5-4-6-14(17)21/h4-9H,3H2,1-2H3
InChIKeyXMBGEUGQOJBZNC-UHFFFAOYSA-N
MW434.81 g/mol
LogP5.32
Rot. Bonds3

About [2-chloro-6-(trifluoromethyl)phenyl]-[3-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)indazol-1-yl]methanone

[2-chloro-6-(trifluoromethyl)phenyl]-[3-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)indazol-1-yl]methanone (PubChem CID 123767013) has the molecular formula C20H14ClF3N4O2 and a molecular weight of 434.81 g/mol. Its IUPAC name is [2-chloro-6-(trifluoromethyl)phenyl]-[3-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)indazol-1-yl]methanone.

Molecular Properties

Compound Name[2-chloro-6-(trifluoromethyl)phenyl]-[3-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)indazol-1-yl]methanone
PubChem CID123767013
Molecular FormulaC20H14ClF3N4O2
Molecular Weight434.81 g/mol
Exact Mass434.08
IUPAC Name[2-chloro-6-(trifluoromethyl)phenyl]-[3-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)indazol-1-yl]methanone
SMILESCCc1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cc(-c3nc(C)no3)ccc12
InChIInChI=1S/C20H14ClF3N4O2/c1-3-15-12-8-7-11(18-25-10(2)27-30-18)9-16(12)28(26-15)19(29)17-13(20(22,23)24)5-4-6-14(17)21/h4-9H,3H2,1-2H3
InChIKeyXMBGEUGQOJBZNC-UHFFFAOYSA-N
XLogP5.32
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.81
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(trifluoromethyl)phenyl]-[3-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)indazol-1-yl]methanone?
The IUPAC name of [2-chloro-6-(trifluoromethyl)phenyl]-[3-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)indazol-1-yl]methanone (CID 123767013) is [2-chloro-6-(trifluoromethyl)phenyl]-[3-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)indazol-1-yl]methanone.
What is the SMILES notation for [2-chloro-6-(trifluoromethyl)phenyl]-[3-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)indazol-1-yl]methanone?
The canonical SMILES for [2-chloro-6-(trifluoromethyl)phenyl]-[3-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)indazol-1-yl]methanone is CCc1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cc(-c3nc(C)no3)ccc12.
What is the InChIKey of [2-chloro-6-(trifluoromethyl)phenyl]-[3-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)indazol-1-yl]methanone?
The InChIKey is XMBGEUGQOJBZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N4O2/c1-3-15-12-8-7-11(18-25-10(2)27-30-18)9-16(12)28(26-15)19(29)17-13(20(22,23)24)5-4-6-14(17)21/h4-9H,3H2,1-2H3.
What are the key properties of [2-chloro-6-(trifluoromethyl)phenyl]-[3-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)indazol-1-yl]methanone?
[2-chloro-6-(trifluoromethyl)phenyl]-[3-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)indazol-1-yl]methanone has a molecular weight of 434.81 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(trifluoromethyl)phenyl]-[3-ethyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)indazol-1-yl]methanone is sourced from PubChem (CID 123767013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).