3-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide

C21H14F6N4O2 — CID 118335498

IUPAC3-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C21H14F6N4O2/c1-11-16(10-33-30-11)19(32)28-18-15-8-14(21(25,26)27)6-7-17(15)31(29-18)9-12-2-4-13(5-3-12)20(22,23)24/h2-8,10H,9H2,1H3,(H,28,29,32)
InChIKeyKFUUFQXYIAZWKT-UHFFFAOYSA-N
MW468.36 g/mol
LogP5.67
Rot. Bonds4

About 3-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide

3-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide (PubChem CID 118335498) has the molecular formula C21H14F6N4O2 and a molecular weight of 468.36 g/mol. Its IUPAC name is 3-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide
PubChem CID118335498
Molecular FormulaC21H14F6N4O2
Molecular Weight468.36 g/mol
Exact Mass468.10
IUPAC Name3-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C21H14F6N4O2/c1-11-16(10-33-30-11)19(32)28-18-15-8-14(21(25,26)27)6-7-17(15)31(29-18)9-12-2-4-13(5-3-12)20(22,23)24/h2-8,10H,9H2,1H3,(H,28,29,32)
InChIKeyKFUUFQXYIAZWKT-UHFFFAOYSA-N
XLogP5.67
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.36
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide (CID 118335498) is 3-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc12.
What is the InChIKey of 3-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is KFUUFQXYIAZWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F6N4O2/c1-11-16(10-33-30-11)19(32)28-18-15-8-14(21(25,26)27)6-7-17(15)31(29-18)9-12-2-4-13(5-3-12)20(22,23)24/h2-8,10H,9H2,1H3,(H,28,29,32).
What are the key properties of 3-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide?
3-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 468.36 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 118335498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).