propyl N-[2-[(2-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate

C16H19F3N2O6S — CID 67458997

IUPACpropyl N-[2-[(2-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate
SMILESCCCOC(=O)N(c1ccccc1CN1CCCOC1=O)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C16H19F3N2O6S/c1-2-9-26-15(23)21(28(24,25)16(17,18)19)13-7-4-3-6-12(13)11-20-8-5-10-27-14(20)22/h3-4,6-7H,2,5,8-11H2,1H3
InChIKeyNVXFZXZQKRFNQU-UHFFFAOYSA-N
MW424.40 g/mol
LogP3.23
Rot. Bonds6

About propyl N-[2-[(2-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate

propyl N-[2-[(2-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate (PubChem CID 67458997) has the molecular formula C16H19F3N2O6S and a molecular weight of 424.40 g/mol. Its IUPAC name is propyl N-[2-[(2-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate.

Molecular Properties

Compound Namepropyl N-[2-[(2-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate
PubChem CID67458997
Molecular FormulaC16H19F3N2O6S
Molecular Weight424.40 g/mol
Exact Mass424.09
IUPAC Namepropyl N-[2-[(2-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate
SMILESCCCOC(=O)N(c1ccccc1CN1CCCOC1=O)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C16H19F3N2O6S/c1-2-9-26-15(23)21(28(24,25)16(17,18)19)13-7-4-3-6-12(13)11-20-8-5-10-27-14(20)22/h3-4,6-7H,2,5,8-11H2,1H3
InChIKeyNVXFZXZQKRFNQU-UHFFFAOYSA-N
XLogP3.23
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze propyl N-[2-[(2-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate 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 propyl N-[2-[(2-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate?
The IUPAC name of propyl N-[2-[(2-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate (CID 67458997) is propyl N-[2-[(2-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate.
What is the SMILES notation for propyl N-[2-[(2-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate?
The canonical SMILES for propyl N-[2-[(2-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate is CCCOC(=O)N(c1ccccc1CN1CCCOC1=O)S(=O)(=O)C(F)(F)F.
What is the InChIKey of propyl N-[2-[(2-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate?
The InChIKey is NVXFZXZQKRFNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O6S/c1-2-9-26-15(23)21(28(24,25)16(17,18)19)13-7-4-3-6-12(13)11-20-8-5-10-27-14(20)22/h3-4,6-7H,2,5,8-11H2,1H3.
What are the key properties of propyl N-[2-[(2-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate?
propyl N-[2-[(2-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate has a molecular weight of 424.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[2-[(2-oxo-1,3-oxazinan-3-yl)methyl]phenyl]-N-(trifluoromethylsulfonyl)carbamate is sourced from PubChem (CID 67458997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).