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

C20H17N5O2 — CID 139228845

IUPACN-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cn(Cc2ccccc2)nn1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H17N5O2/c26-20(18-11-19(27-23-18)16-9-5-2-6-10-16)21-12-17-14-25(24-22-17)13-15-7-3-1-4-8-15/h1-11,14H,12-13H2,(H,21,26)
InChIKeyGRGLWAYKHOQADD-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.91
Rot. Bonds6

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

N-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 139228845) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID139228845
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cn(Cc2ccccc2)nn1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H17N5O2/c26-20(18-11-19(27-23-18)16-9-5-2-6-10-16)21-12-17-14-25(24-22-17)13-15-7-3-1-4-8-15/h1-11,14H,12-13H2,(H,21,26)
InChIKeyGRGLWAYKHOQADD-UHFFFAOYSA-N
XLogP2.91
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-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-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 139228845) is N-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NCc1cn(Cc2ccccc2)nn1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is GRGLWAYKHOQADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c26-20(18-11-19(27-23-18)16-9-5-2-6-10-16)21-12-17-14-25(24-22-17)13-15-7-3-1-4-8-15/h1-11,14H,12-13H2,(H,21,26).
What are the key properties of N-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyltriazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 139228845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).