(6S)-6-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one

C21H25FN2O2 — CID 24750611

IUPAC(6S)-6-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one
SMILESCCN1CC[C@@H](CN(Cc2ccccc2)Cc2ccc(F)cc2)OC1=O
InChIInChI=1S/C21H25FN2O2/c1-2-24-13-12-20(26-21(24)25)16-23(14-17-6-4-3-5-7-17)15-18-8-10-19(22)11-9-18/h3-11,20H,2,12-16H2,1H3/t20-/m0/s1
InChIKeySIOHICRSFQXKDX-FQEVSTJZSA-N
MW356.44 g/mol
LogP4.06
Rot. Bonds7

About (6S)-6-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one

(6S)-6-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one (PubChem CID 24750611) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is (6S)-6-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6S)-6-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one
PubChem CID24750611
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name(6S)-6-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one
SMILESCCN1CC[C@@H](CN(Cc2ccccc2)Cc2ccc(F)cc2)OC1=O
InChIInChI=1S/C21H25FN2O2/c1-2-24-13-12-20(26-21(24)25)16-23(14-17-6-4-3-5-7-17)15-18-8-10-19(22)11-9-18/h3-11,20H,2,12-16H2,1H3/t20-/m0/s1
InChIKeySIOHICRSFQXKDX-FQEVSTJZSA-N
XLogP4.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one?
The IUPAC name of (6S)-6-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one (CID 24750611) is (6S)-6-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one.
What is the SMILES notation for (6S)-6-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one?
The canonical SMILES for (6S)-6-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one is CCN1CC[C@@H](CN(Cc2ccccc2)Cc2ccc(F)cc2)OC1=O.
What is the InChIKey of (6S)-6-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one?
The InChIKey is SIOHICRSFQXKDX-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-2-24-13-12-20(26-21(24)25)16-23(14-17-6-4-3-5-7-17)15-18-8-10-19(22)11-9-18/h3-11,20H,2,12-16H2,1H3/t20-/m0/s1.
What are the key properties of (6S)-6-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one?
(6S)-6-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one has a molecular weight of 356.44 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one is sourced from PubChem (CID 24750611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).