N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-2-methoxy-N-methylacetamide

C16H21N3O3 — CID 70230307

IUPACN-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)c1cccc2c1CC1(CC2)COC(N)=N1
InChIInChI=1S/C16H21N3O3/c1-19(14(20)9-21-2)13-5-3-4-11-6-7-16(8-12(11)13)10-22-15(17)18-16/h3-5H,6-10H2,1-2H3,(H2,17,18)
InChIKeyFCKAQAVGNWWAAG-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.87
Rot. Bonds3

About N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-2-methoxy-N-methylacetamide

N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-2-methoxy-N-methylacetamide (PubChem CID 70230307) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-2-methoxy-N-methylacetamide.

Molecular Properties

Compound NameN-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-2-methoxy-N-methylacetamide
PubChem CID70230307
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)c1cccc2c1CC1(CC2)COC(N)=N1
InChIInChI=1S/C16H21N3O3/c1-19(14(20)9-21-2)13-5-3-4-11-6-7-16(8-12(11)13)10-22-15(17)18-16/h3-5H,6-10H2,1-2H3,(H2,17,18)
InChIKeyFCKAQAVGNWWAAG-UHFFFAOYSA-N
XLogP0.87
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-2-methoxy-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-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-2-methoxy-N-methylacetamide?
The IUPAC name of N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-2-methoxy-N-methylacetamide (CID 70230307) is N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-2-methoxy-N-methylacetamide.
What is the SMILES notation for N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-2-methoxy-N-methylacetamide?
The canonical SMILES for N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-2-methoxy-N-methylacetamide is COCC(=O)N(C)c1cccc2c1CC1(CC2)COC(N)=N1.
What is the InChIKey of N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-2-methoxy-N-methylacetamide?
The InChIKey is FCKAQAVGNWWAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-19(14(20)9-21-2)13-5-3-4-11-6-7-16(8-12(11)13)10-22-15(17)18-16/h3-5H,6-10H2,1-2H3,(H2,17,18).
What are the key properties of N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-2-methoxy-N-methylacetamide?
N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-2-methoxy-N-methylacetamide has a molecular weight of 303.36 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-2-methoxy-N-methylacetamide is sourced from PubChem (CID 70230307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).