N-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]-N-methylacetamide

C17H23N3O2 — CID 71973343

IUPACN-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccccc1NCc1ncc(C(C)(C)C)o1
InChIInChI=1S/C17H23N3O2/c1-12(21)20(5)14-9-7-6-8-13(14)18-11-16-19-10-15(22-16)17(2,3)4/h6-10,18H,11H2,1-5H3
InChIKeyRWVSFOQSRUHUBM-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.57
Rot. Bonds4

About N-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]-N-methylacetamide

N-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]-N-methylacetamide (PubChem CID 71973343) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]-N-methylacetamide
PubChem CID71973343
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccccc1NCc1ncc(C(C)(C)C)o1
InChIInChI=1S/C17H23N3O2/c1-12(21)20(5)14-9-7-6-8-13(14)18-11-16-19-10-15(22-16)17(2,3)4/h6-10,18H,11H2,1-5H3
InChIKeyRWVSFOQSRUHUBM-UHFFFAOYSA-N
XLogP3.57
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]-N-methylacetamide 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-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]-N-methylacetamide?
The IUPAC name of N-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]-N-methylacetamide (CID 71973343) is N-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccccc1NCc1ncc(C(C)(C)C)o1.
What is the InChIKey of N-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]-N-methylacetamide?
The InChIKey is RWVSFOQSRUHUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(21)20(5)14-9-7-6-8-13(14)18-11-16-19-10-15(22-16)17(2,3)4/h6-10,18H,11H2,1-5H3.
What are the key properties of N-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]-N-methylacetamide?
N-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]-N-methylacetamide has a molecular weight of 301.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 71973343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).