3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide

C19H14F3N5O2 — CID 118335409

IUPAC3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12
InChIInChI=1S/C19H14F3N5O2/c1-11-14(10-29-26-11)18(28)24-17-13-4-2-3-5-15(13)27(25-17)9-12-6-7-16(23-8-12)19(20,21)22/h2-8,10H,9H2,1H3,(H,24,25,28)
InChIKeyCFIPLJRHXXLNNY-UHFFFAOYSA-N
MW401.35 g/mol
LogP4.05
Rot. Bonds4

About 3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide

3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide (PubChem CID 118335409) has the molecular formula C19H14F3N5O2 and a molecular weight of 401.35 g/mol. Its IUPAC name is 3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide
PubChem CID118335409
Molecular FormulaC19H14F3N5O2
Molecular Weight401.35 g/mol
Exact Mass401.11
IUPAC Name3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12
InChIInChI=1S/C19H14F3N5O2/c1-11-14(10-29-26-11)18(28)24-17-13-4-2-3-5-15(13)27(25-17)9-12-6-7-16(23-8-12)19(20,21)22/h2-8,10H,9H2,1H3,(H,24,25,28)
InChIKeyCFIPLJRHXXLNNY-UHFFFAOYSA-N
XLogP4.05
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide
CID 165415063
N-(3-methyl-1,2-oxazol-5-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46191142
N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 118537152
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 118537186
N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)-3-methyl-4-isoxazole-carboxamide
CID 118538740
US20230286943, Example 113
CID 162362210
US20230286943, Example 106
CID 162362247
US20230286943, Example 63
CID 162362429
N-[1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 129203011
N-[1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]indazol-3-yl]furan-3-carboxamide
CID 118326029
N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 118335328
N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 118335369

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide (CID 118335409) is 3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.
What is the InChIKey of 3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is CFIPLJRHXXLNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O2/c1-11-14(10-29-26-11)18(28)24-17-13-4-2-3-5-15(13)27(25-17)9-12-6-7-16(23-8-12)19(20,21)22/h2-8,10H,9H2,1H3,(H,24,25,28).
What are the key properties of 3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide?
3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 401.35 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 118335409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).