N-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide

C17H20N2O2 — CID 3244730

IUPACN-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1noc2c1CCCCC2
InChIInChI=1S/C17H20N2O2/c20-17(18-12-11-13-7-3-1-4-8-13)16-14-9-5-2-6-10-15(14)21-19-16/h1,3-4,7-8H,2,5-6,9-12H2,(H,18,20)
InChIKeyACXJKRAYYKVWBJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.92
Rot. Bonds4

About N-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide

N-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide (PubChem CID 3244730) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
PubChem CID3244730
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1noc2c1CCCCC2
InChIInChI=1S/C17H20N2O2/c20-17(18-12-11-13-7-3-1-4-8-13)16-14-9-5-2-6-10-15(14)21-19-16/h1,3-4,7-8H,2,5-6,9-12H2,(H,18,20)
InChIKeyACXJKRAYYKVWBJ-UHFFFAOYSA-N
XLogP2.92
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][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-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide (CID 3244730) is N-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide is O=C(NCCc1ccccc1)c1noc2c1CCCCC2.
What is the InChIKey of N-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The InChIKey is ACXJKRAYYKVWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-17(18-12-11-13-7-3-1-4-8-13)16-14-9-5-2-6-10-15(14)21-19-16/h1,3-4,7-8H,2,5-6,9-12H2,(H,18,20).
What are the key properties of N-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
N-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 3244730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).