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

C20H15F3N4O2 — CID 118335399

IUPAC4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C20H15F3N4O2/c1-12-17(29-11-24-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)10-13-6-8-14(9-7-13)20(21,22)23/h2-9,11H,10H2,1H3,(H,25,26,28)
InChIKeyXOXBBAOTFRMSHB-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.65
Rot. Bonds4

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

4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide (PubChem CID 118335399) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is 4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide
PubChem CID118335399
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC Name4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C20H15F3N4O2/c1-12-17(29-11-24-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)10-13-6-8-14(9-7-13)20(21,22)23/h2-9,11H,10H2,1H3,(H,25,26,28)
InChIKeyXOXBBAOTFRMSHB-UHFFFAOYSA-N
XLogP4.65
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide (CID 118335399) is 4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.
What is the InChIKey of 4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is XOXBBAOTFRMSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c1-12-17(29-11-24-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)10-13-6-8-14(9-7-13)20(21,22)23/h2-9,11H,10H2,1H3,(H,25,26,28).
What are the key properties of 4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide?
4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 400.36 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 118335399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).