tert-butyl 4-[5-[methoxy(methyl)amino]-5-oxopentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;1,1,1-trifluoroethane

C19H35F3N2O5 — CID 176970719

IUPACtert-butyl 4-[5-[methoxy(methyl)amino]-5-oxopentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;1,1,1-trifluoroethane
SMILESCC(F)(F)F.CON(C)C(=O)CCCCC1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O5.C2H3F3/c1-16(2,3)24-15(21)19-13(12-23-17(19,4)5)10-8-9-11-14(20)18(6)22-7;1-2(3,4)5/h13H,8-12H2,1-7H3;1H3
InChIKeyDQSAWVBRBDQKNT-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.51
Rot. Bonds6

About tert-butyl 4-[5-[methoxy(methyl)amino]-5-oxopentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;1,1,1-trifluoroethane

tert-butyl 4-[5-[methoxy(methyl)amino]-5-oxopentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;1,1,1-trifluoroethane (PubChem CID 176970719) has the molecular formula C19H35F3N2O5 and a molecular weight of 428.49 g/mol. Its IUPAC name is tert-butyl 4-[5-[methoxy(methyl)amino]-5-oxopentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;1,1,1-trifluoroethane.

Molecular Properties

Compound Nametert-butyl 4-[5-[methoxy(methyl)amino]-5-oxopentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;1,1,1-trifluoroethane
PubChem CID176970719
Molecular FormulaC19H35F3N2O5
Molecular Weight428.49 g/mol
Exact Mass428.25
IUPAC Nametert-butyl 4-[5-[methoxy(methyl)amino]-5-oxopentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;1,1,1-trifluoroethane
SMILESCC(F)(F)F.CON(C)C(=O)CCCCC1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O5.C2H3F3/c1-16(2,3)24-15(21)19-13(12-23-17(19,4)5)10-8-9-11-14(20)18(6)22-7;1-2(3,4)5/h13H,8-12H2,1-7H3;1H3
InChIKeyDQSAWVBRBDQKNT-UHFFFAOYSA-N
XLogP4.51
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl 4-[5-[methoxy(methyl)amino]-5-oxopentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;1,1,1-trifluoroethane 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 tert-butyl 4-[5-[methoxy(methyl)amino]-5-oxopentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;1,1,1-trifluoroethane?
The IUPAC name of tert-butyl 4-[5-[methoxy(methyl)amino]-5-oxopentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;1,1,1-trifluoroethane (CID 176970719) is tert-butyl 4-[5-[methoxy(methyl)amino]-5-oxopentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;1,1,1-trifluoroethane.
What is the SMILES notation for tert-butyl 4-[5-[methoxy(methyl)amino]-5-oxopentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;1,1,1-trifluoroethane?
The canonical SMILES for tert-butyl 4-[5-[methoxy(methyl)amino]-5-oxopentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;1,1,1-trifluoroethane is CC(F)(F)F.CON(C)C(=O)CCCCC1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-[5-[methoxy(methyl)amino]-5-oxopentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;1,1,1-trifluoroethane?
The InChIKey is DQSAWVBRBDQKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O5.C2H3F3/c1-16(2,3)24-15(21)19-13(12-23-17(19,4)5)10-8-9-11-14(20)18(6)22-7;1-2(3,4)5/h13H,8-12H2,1-7H3;1H3.
What are the key properties of tert-butyl 4-[5-[methoxy(methyl)amino]-5-oxopentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;1,1,1-trifluoroethane?
tert-butyl 4-[5-[methoxy(methyl)amino]-5-oxopentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;1,1,1-trifluoroethane has a molecular weight of 428.49 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[methoxy(methyl)amino]-5-oxopentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;1,1,1-trifluoroethane is sourced from PubChem (CID 176970719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).