1-ethynyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]cyclohexan-1-amine

C22H22N2O — CID 56662559

IUPAC1-ethynyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]cyclohexan-1-amine
SMILESC#CC1(NCc2coc(-c3cccc4ccccc34)n2)CCCCC1
InChIInChI=1S/C22H22N2O/c1-2-22(13-6-3-7-14-22)23-15-18-16-25-21(24-18)20-12-8-10-17-9-4-5-11-19(17)20/h1,4-5,8-12,16,23H,3,6-7,13-15H2
InChIKeyYVUVMSUHMWZDFO-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.92
Rot. Bonds4

About 1-ethynyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]cyclohexan-1-amine

1-ethynyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 56662559) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-ethynyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-ethynyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID56662559
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name1-ethynyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]cyclohexan-1-amine
SMILESC#CC1(NCc2coc(-c3cccc4ccccc34)n2)CCCCC1
InChIInChI=1S/C22H22N2O/c1-2-22(13-6-3-7-14-22)23-15-18-16-25-21(24-18)20-12-8-10-17-9-4-5-11-19(17)20/h1,4-5,8-12,16,23H,3,6-7,13-15H2
InChIKeyYVUVMSUHMWZDFO-UHFFFAOYSA-N
XLogP4.92
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-ethynyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]cyclohexan-1-amine 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 1-ethynyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-ethynyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]cyclohexan-1-amine (CID 56662559) is 1-ethynyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-ethynyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-ethynyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]cyclohexan-1-amine is C#CC1(NCc2coc(-c3cccc4ccccc34)n2)CCCCC1.
What is the InChIKey of 1-ethynyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is YVUVMSUHMWZDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-2-22(13-6-3-7-14-22)23-15-18-16-25-21(24-18)20-12-8-10-17-9-4-5-11-19(17)20/h1,4-5,8-12,16,23H,3,6-7,13-15H2.
What are the key properties of 1-ethynyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]cyclohexan-1-amine?
1-ethynyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 330.43 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 56662559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).