N-[[3-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazol-5-yl]methyl]-7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine

C28H37ClN2O4Si — CID 140793155

About N-[[3-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazol-5-yl]methyl]-7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine

N-[[3-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazol-5-yl]methyl]-7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine (PubChem CID 140793155) has the molecular formula C28H37ClN2O4Si and a molecular weight of 529.15 g/mol. Its IUPAC name is N-[[3-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazol-5-yl]methyl]-7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

• Compound Name: N-[[3-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazol-5-yl]methyl]-7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine
• PubChem CID: 140793155
• Molecular Formula: C28H37ClN2O4Si
• Molecular Weight: 529.15 g/mol
• Exact Mass: 528.22
• IUPAC Name: N-[[3-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazol-5-yl]methyl]-7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine
• SMILES: CCc1cccc(Cl)c1COc1ccc2c(c1)OCC(NCc1cc(O[Si](C)(C)C(C)(C)C)no1)C2
• InChI: InChI=1S/C28H37ClN2O4Si/c1-7-19-9-8-10-25(29)24(19)18-32-22-12-11-20-13-21(17-33-26(20)14-22)30-16-23-15-27(31-34-23)35-36(5,6)28(2,3)4/h8-12,14-15,21,30H,7,13,16-18H2,1-6H3
• InChIKey: GWRCEAPYHJSFAX-UHFFFAOYSA-N
• XLogP: 6.95
• TPSA: 65.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.15
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[3-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazol-5-yl]methyl]-7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine?

The IUPAC name of N-[[3-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazol-5-yl]methyl]-7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine (CID 140793155) is N-[[3-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazol-5-yl]methyl]-7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine.

What is the SMILES notation for N-[[3-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazol-5-yl]methyl]-7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine?

The canonical SMILES for N-[[3-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazol-5-yl]methyl]-7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine is CCc1cccc(Cl)c1COc1ccc2c(c1)OCC(NCc1cc(O[Si](C)(C)C(C)(C)C)no1)C2.

What is the InChIKey of N-[[3-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazol-5-yl]methyl]-7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine?

The InChIKey is GWRCEAPYHJSFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37ClN2O4Si/c1-7-19-9-8-10-25(29)24(19)18-32-22-12-11-20-13-21(17-33-26(20)14-22)30-16-23-15-27(31-34-23)35-36(5,6)28(2,3)4/h8-12,14-15,21,30H,7,13,16-18H2,1-6H3.

What are the key properties of N-[[3-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazol-5-yl]methyl]-7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine?

N-[[3-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazol-5-yl]methyl]-7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 529.15 g/mol, XLogP of 6.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazol-5-yl]methyl]-7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 140793155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).