3-[(6R)-3-[(2S)-3,3-dimethylbutan-2-yl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]propanamide

C19H27FN2O3 — CID 42642286

IUPAC3-[(6R)-3-[(2S)-3,3-dimethylbutan-2-yl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]propanamide
SMILESC[C@H](N1CC[C@](CCC(N)=O)(c2ccc(F)cc2)OC1=O)C(C)(C)C
InChIInChI=1S/C19H27FN2O3/c1-13(18(2,3)4)22-12-11-19(25-17(22)24,10-9-16(21)23)14-5-7-15(20)8-6-14/h5-8,13H,9-12H2,1-4H3,(H2,21,23)/t13-,19+/m0/s1
InChIKeyTUUCTSCCHSMYRS-ORAYPTAESA-N
MW350.43 g/mol
LogP3.56
Rot. Bonds5

About 3-[(6R)-3-[(2S)-3,3-dimethylbutan-2-yl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]propanamide

3-[(6R)-3-[(2S)-3,3-dimethylbutan-2-yl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]propanamide (PubChem CID 42642286) has the molecular formula C19H27FN2O3 and a molecular weight of 350.43 g/mol. Its IUPAC name is 3-[(6R)-3-[(2S)-3,3-dimethylbutan-2-yl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]propanamide.

Molecular Properties

Compound Name3-[(6R)-3-[(2S)-3,3-dimethylbutan-2-yl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]propanamide
PubChem CID42642286
Molecular FormulaC19H27FN2O3
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name3-[(6R)-3-[(2S)-3,3-dimethylbutan-2-yl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]propanamide
SMILESC[C@H](N1CC[C@](CCC(N)=O)(c2ccc(F)cc2)OC1=O)C(C)(C)C
InChIInChI=1S/C19H27FN2O3/c1-13(18(2,3)4)22-12-11-19(25-17(22)24,10-9-16(21)23)14-5-7-15(20)8-6-14/h5-8,13H,9-12H2,1-4H3,(H2,21,23)/t13-,19+/m0/s1
InChIKeyTUUCTSCCHSMYRS-ORAYPTAESA-N
XLogP3.56
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(6R)-3-[(2S)-3,3-dimethylbutan-2-yl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]propanamide?
The IUPAC name of 3-[(6R)-3-[(2S)-3,3-dimethylbutan-2-yl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]propanamide (CID 42642286) is 3-[(6R)-3-[(2S)-3,3-dimethylbutan-2-yl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]propanamide.
What is the SMILES notation for 3-[(6R)-3-[(2S)-3,3-dimethylbutan-2-yl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]propanamide?
The canonical SMILES for 3-[(6R)-3-[(2S)-3,3-dimethylbutan-2-yl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]propanamide is C[C@H](N1CC[C@](CCC(N)=O)(c2ccc(F)cc2)OC1=O)C(C)(C)C.
What is the InChIKey of 3-[(6R)-3-[(2S)-3,3-dimethylbutan-2-yl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]propanamide?
The InChIKey is TUUCTSCCHSMYRS-ORAYPTAESA-N. The full InChI is InChI=1S/C19H27FN2O3/c1-13(18(2,3)4)22-12-11-19(25-17(22)24,10-9-16(21)23)14-5-7-15(20)8-6-14/h5-8,13H,9-12H2,1-4H3,(H2,21,23)/t13-,19+/m0/s1.
What are the key properties of 3-[(6R)-3-[(2S)-3,3-dimethylbutan-2-yl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]propanamide?
3-[(6R)-3-[(2S)-3,3-dimethylbutan-2-yl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]propanamide has a molecular weight of 350.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6R)-3-[(2S)-3,3-dimethylbutan-2-yl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]propanamide is sourced from PubChem (CID 42642286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).