3-ethyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-5-carboxamide

C18H19F3N4O3 — CID 70761670

IUPAC3-ethyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2nn(CC(F)(F)F)c3cc(OC(C)C)ccc23)on1
InChIInChI=1S/C18H19F3N4O3/c1-4-11-7-15(28-24-11)17(26)22-16-13-6-5-12(27-10(2)3)8-14(13)25(23-16)9-18(19,20)21/h5-8,10H,4,9H2,1-3H3,(H,22,23,26)
InChIKeySMIIWEZEOJUCCY-UHFFFAOYSA-N
MW396.37 g/mol
LogP4.19
Rot. Bonds6

About 3-ethyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-5-carboxamide

3-ethyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 70761670) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is 3-ethyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID70761670
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC Name3-ethyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2nn(CC(F)(F)F)c3cc(OC(C)C)ccc23)on1
InChIInChI=1S/C18H19F3N4O3/c1-4-11-7-15(28-24-11)17(26)22-16-13-6-5-12(27-10(2)3)8-14(13)25(23-16)9-18(19,20)21/h5-8,10H,4,9H2,1-3H3,(H,22,23,26)
InChIKeySMIIWEZEOJUCCY-UHFFFAOYSA-N
XLogP4.19
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-5-carboxamide (CID 70761670) is 3-ethyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-5-carboxamide is CCc1cc(C(=O)Nc2nn(CC(F)(F)F)c3cc(OC(C)C)ccc23)on1.
What is the InChIKey of 3-ethyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is SMIIWEZEOJUCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3/c1-4-11-7-15(28-24-11)17(26)22-16-13-6-5-12(27-10(2)3)8-14(13)25(23-16)9-18(19,20)21/h5-8,10H,4,9H2,1-3H3,(H,22,23,26).
What are the key properties of 3-ethyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-5-carboxamide?
3-ethyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 396.37 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 70761670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).