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

C20H18N4O2 — CID 118335578

IUPAC3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide
SMILESCc1ccc(Cn2nc(NC(=O)c3conc3C)c3ccccc32)cc1
InChIInChI=1S/C20H18N4O2/c1-13-7-9-15(10-8-13)11-24-18-6-4-3-5-16(18)19(22-24)21-20(25)17-12-26-23-14(17)2/h3-10,12H,11H2,1-2H3,(H,21,22,25)
InChIKeyGCYCBWAEUCGLAP-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.94
Rot. Bonds4

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

3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide (PubChem CID 118335578) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide
PubChem CID118335578
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide
SMILESCc1ccc(Cn2nc(NC(=O)c3conc3C)c3ccccc32)cc1
InChIInChI=1S/C20H18N4O2/c1-13-7-9-15(10-8-13)11-24-18-6-4-3-5-16(18)19(22-24)21-20(25)17-12-26-23-14(17)2/h3-10,12H,11H2,1-2H3,(H,21,22,25)
InChIKeyGCYCBWAEUCGLAP-UHFFFAOYSA-N
XLogP3.94
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.94
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-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide (CID 118335578) is 3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide is Cc1ccc(Cn2nc(NC(=O)c3conc3C)c3ccccc32)cc1.
What is the InChIKey of 3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is GCYCBWAEUCGLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-7-9-15(10-8-13)11-24-18-6-4-3-5-16(18)19(22-24)21-20(25)17-12-26-23-14(17)2/h3-10,12H,11H2,1-2H3,(H,21,22,25).
What are the key properties of 3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide?
3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.94, 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-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 118335578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).