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

C20H15F3N4O2 — CID 118335403

IUPAC3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C20H15F3N4O2/c1-12-16(11-29-26-12)19(28)24-18-15-4-2-3-5-17(15)27(25-18)10-13-6-8-14(9-7-13)20(21,22)23/h2-9,11H,10H2,1H3,(H,24,25,28)
InChIKeyFGLWVXZZWLPYTL-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.65
Rot. Bonds4

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

3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide (PubChem CID 118335403) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide
PubChem CID118335403
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC Name3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C20H15F3N4O2/c1-12-16(11-29-26-12)19(28)24-18-15-4-2-3-5-17(15)27(25-18)10-13-6-8-14(9-7-13)20(21,22)23/h2-9,11H,10H2,1H3,(H,24,25,28)
InChIKeyFGLWVXZZWLPYTL-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 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide (CID 118335403) is 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.
What is the InChIKey of 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is FGLWVXZZWLPYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c1-12-16(11-29-26-12)19(28)24-18-15-4-2-3-5-17(15)27(25-18)10-13-6-8-14(9-7-13)20(21,22)23/h2-9,11H,10H2,1H3,(H,24,25,28).
What are the key properties of 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide?
3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-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 3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 118335403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).