N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

C14H15F3N4O2 — CID 798505

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)no1
InChIInChI=1S/C14H15F3N4O2/c1-8-6-11(20-23-8)18-12(22)7-21-10-5-3-2-4-9(10)13(19-21)14(15,16)17/h6H,2-5,7H2,1H3,(H,18,20,22)
InChIKeyPPHFADFQVPMYBB-UHFFFAOYSA-N
MW328.29 g/mol
LogP2.72
Rot. Bonds3

About N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 798505) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID798505
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)no1
InChIInChI=1S/C14H15F3N4O2/c1-8-6-11(20-23-8)18-12(22)7-21-10-5-3-2-4-9(10)13(19-21)14(15,16)17/h6H,2-5,7H2,1H3,(H,18,20,22)
InChIKeyPPHFADFQVPMYBB-UHFFFAOYSA-N
XLogP2.72
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 798505) is N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is Cc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is PPHFADFQVPMYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c1-8-6-11(20-23-8)18-12(22)7-21-10-5-3-2-4-9(10)13(19-21)14(15,16)17/h6H,2-5,7H2,1H3,(H,18,20,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 328.29 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 798505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).