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

C21H24F2N2O2 — CID 24750612

IUPAC(6S)-6-[[benzyl-[(2,4-difluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one
SMILESCCN1CC[C@@H](CN(Cc2ccccc2)Cc2ccc(F)cc2F)OC1=O
InChIInChI=1S/C21H24F2N2O2/c1-2-25-11-10-19(27-21(25)26)15-24(13-16-6-4-3-5-7-16)14-17-8-9-18(22)12-20(17)23/h3-9,12,19H,2,10-11,13-15H2,1H3/t19-/m0/s1
InChIKeyWAMYBAKXTUJDOY-IBGZPJMESA-N
MW374.43 g/mol
LogP4.20
Rot. Bonds7

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

(6S)-6-[[benzyl-[(2,4-difluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one (PubChem CID 24750612) has the molecular formula C21H24F2N2O2 and a molecular weight of 374.43 g/mol. Its IUPAC name is (6S)-6-[[benzyl-[(2,4-difluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6S)-6-[[benzyl-[(2,4-difluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one
PubChem CID24750612
Molecular FormulaC21H24F2N2O2
Molecular Weight374.43 g/mol
Exact Mass374.18
IUPAC Name(6S)-6-[[benzyl-[(2,4-difluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one
SMILESCCN1CC[C@@H](CN(Cc2ccccc2)Cc2ccc(F)cc2F)OC1=O
InChIInChI=1S/C21H24F2N2O2/c1-2-25-11-10-19(27-21(25)26)15-24(13-16-6-4-3-5-7-16)14-17-8-9-18(22)12-20(17)23/h3-9,12,19H,2,10-11,13-15H2,1H3/t19-/m0/s1
InChIKeyWAMYBAKXTUJDOY-IBGZPJMESA-N
XLogP4.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6S)-6-[[benzyl-[(2,4-difluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851908
isobutyl N-benzyl-N-[3-[benzyl(isobutoxycarbonyl)amino]-2-hydroxy-propyl]carbamate
CID 469842
Ethyl 4-(2-fluorobenzyl)-1-piperazinecarboxylate
CID 782970
Ethyl 4-(2,6-difluorobenzyl)-1-piperazinecarboxylate
CID 2055478
tert-butyl N-benzyl-N-[3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxypropyl]carbamate
CID 10648052
(R)-3-((4''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 25173697
(R)-3-((2''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 44591713
(R)-3-((3''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 44591714
(5R)-3-[[4-(2,4-difluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 44591773
5-(4-Benzhydryl-piperazin-1-ylmethyl)-3-isopropyl-oxazolidin-2-one
CID 76072440
3-Allyl-5-(4-benzhydryl-piperazin-1-ylmethyl)-oxazolidin-2-one
CID 76072441
US10858373, Example 15
CID 135251269

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[[benzyl-[(2,4-difluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one?
The IUPAC name of (6S)-6-[[benzyl-[(2,4-difluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one (CID 24750612) is (6S)-6-[[benzyl-[(2,4-difluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one.
What is the SMILES notation for (6S)-6-[[benzyl-[(2,4-difluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one?
The canonical SMILES for (6S)-6-[[benzyl-[(2,4-difluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one is CCN1CC[C@@H](CN(Cc2ccccc2)Cc2ccc(F)cc2F)OC1=O.
What is the InChIKey of (6S)-6-[[benzyl-[(2,4-difluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one?
The InChIKey is WAMYBAKXTUJDOY-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24F2N2O2/c1-2-25-11-10-19(27-21(25)26)15-24(13-16-6-4-3-5-7-16)14-17-8-9-18(22)12-20(17)23/h3-9,12,19H,2,10-11,13-15H2,1H3/t19-/m0/s1.
What are the key properties of (6S)-6-[[benzyl-[(2,4-difluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one?
(6S)-6-[[benzyl-[(2,4-difluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one has a molecular weight of 374.43 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[[benzyl-[(2,4-difluorophenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one is sourced from PubChem (CID 24750612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).