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

C16H15F3N4O3 — CID 70771501

IUPACN-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-3-carboxamide
SMILESCC(C)Oc1ccc2c(NC(=O)c3ccon3)nn(CC(F)(F)F)c2c1
InChIInChI=1S/C16H15F3N4O3/c1-9(2)26-10-3-4-11-13(7-10)23(8-16(17,18)19)21-14(11)20-15(24)12-5-6-25-22-12/h3-7,9H,8H2,1-2H3,(H,20,21,24)
InChIKeyCJMBDLBXEWZYHT-UHFFFAOYSA-N
MW368.32 g/mol
LogP3.63
Rot. Bonds5

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

N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 70771501) has the molecular formula C16H15F3N4O3 and a molecular weight of 368.32 g/mol. Its IUPAC name is N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID70771501
Molecular FormulaC16H15F3N4O3
Molecular Weight368.32 g/mol
Exact Mass368.11
IUPAC NameN-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-3-carboxamide
SMILESCC(C)Oc1ccc2c(NC(=O)c3ccon3)nn(CC(F)(F)F)c2c1
InChIInChI=1S/C16H15F3N4O3/c1-9(2)26-10-3-4-11-13(7-10)23(8-16(17,18)19)21-14(11)20-15(24)12-5-6-25-22-12/h3-7,9H,8H2,1-2H3,(H,20,21,24)
InChIKeyCJMBDLBXEWZYHT-UHFFFAOYSA-N
XLogP3.63
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-3-carboxamide (CID 70771501) is N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-3-carboxamide is CC(C)Oc1ccc2c(NC(=O)c3ccon3)nn(CC(F)(F)F)c2c1.
What is the InChIKey of N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is CJMBDLBXEWZYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O3/c1-9(2)26-10-3-4-11-13(7-10)23(8-16(17,18)19)21-14(11)20-15(24)12-5-6-25-22-12/h3-7,9H,8H2,1-2H3,(H,20,21,24).
What are the key properties of N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-3-carboxamide?
N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 368.32 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 70771501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).