(5R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

C15H17F3N4O2 — CID 97063567

IUPAC(5R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCCc1onc(C)c1NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C15H17F3N4O2/c1-3-11-12(7(2)22-24-11)19-14(23)8-4-5-10-9(6-8)13(21-20-10)15(16,17)18/h8H,3-6H2,1-2H3,(H,19,23)(H,20,21)/t8-/m1/s1
InChIKeyHVOJWEWJWUOVEW-MRVPVSSYSA-N
MW342.32 g/mol
LogP3.03
Rot. Bonds3

About (5R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

(5R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 97063567) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is (5R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
PubChem CID97063567
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name(5R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCCc1onc(C)c1NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C15H17F3N4O2/c1-3-11-12(7(2)22-24-11)19-14(23)8-4-5-10-9(6-8)13(21-20-10)15(16,17)18/h8H,3-6H2,1-2H3,(H,19,23)(H,20,21)/t8-/m1/s1
InChIKeyHVOJWEWJWUOVEW-MRVPVSSYSA-N
XLogP3.03
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The IUPAC name of (5R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (CID 97063567) is (5R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for (5R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The canonical SMILES for (5R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is CCc1onc(C)c1NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1.
What is the InChIKey of (5R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The InChIKey is HVOJWEWJWUOVEW-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-3-11-12(7(2)22-24-11)19-14(23)8-4-5-10-9(6-8)13(21-20-10)15(16,17)18/h8H,3-6H2,1-2H3,(H,19,23)(H,20,21)/t8-/m1/s1.
What are the key properties of (5R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
(5R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 97063567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).