N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-phenyl-1,2-oxazole-4-carboxamide

C20H24N6O2 — CID 91786372

IUPACN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCN(C)Cc1nnc(C2CC(NC(=O)c3conc3-c3ccccc3)C2)n1C
InChIInChI=1S/C20H24N6O2/c1-25(2)11-17-22-23-19(26(17)3)14-9-15(10-14)21-20(27)16-12-28-24-18(16)13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3,(H,21,27)
InChIKeyVBHWHPHKTXTJHB-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.21
Rot. Bonds6

About N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-phenyl-1,2-oxazole-4-carboxamide

N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 91786372) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID91786372
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC NameN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCN(C)Cc1nnc(C2CC(NC(=O)c3conc3-c3ccccc3)C2)n1C
InChIInChI=1S/C20H24N6O2/c1-25(2)11-17-22-23-19(26(17)3)14-9-15(10-14)21-20(27)16-12-28-24-18(16)13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3,(H,21,27)
InChIKeyVBHWHPHKTXTJHB-UHFFFAOYSA-N
XLogP2.21
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-phenyl-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-phenyl-1,2-oxazole-4-carboxamide (CID 91786372) is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-phenyl-1,2-oxazole-4-carboxamide is CN(C)Cc1nnc(C2CC(NC(=O)c3conc3-c3ccccc3)C2)n1C.
What is the InChIKey of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is VBHWHPHKTXTJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-25(2)11-17-22-23-19(26(17)3)14-9-15(10-14)21-20(27)16-12-28-24-18(16)13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3,(H,21,27).
What are the key properties of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-phenyl-1,2-oxazole-4-carboxamide?
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 91786372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).