(6R)-6-(3-aminopropyl)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-1,3-oxazinan-2-one

C21H31FN2O2 — CID 58109421

IUPAC(6R)-6-(3-aminopropyl)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-1,3-oxazinan-2-one
SMILESC[C@@H](C1CCCCC1)N1CC[C@](CCCN)(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C21H31FN2O2/c1-16(17-6-3-2-4-7-17)24-15-13-21(12-5-14-23,26-20(24)25)18-8-10-19(22)11-9-18/h8-11,16-17H,2-7,12-15,23H2,1H3/t16-,21+/m0/s1
InChIKeyGRTQEYUUORBIHX-HRAATJIYSA-N
MW362.49 g/mol
LogP4.57
Rot. Bonds6

About (6R)-6-(3-aminopropyl)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-1,3-oxazinan-2-one

(6R)-6-(3-aminopropyl)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-1,3-oxazinan-2-one (PubChem CID 58109421) has the molecular formula C21H31FN2O2 and a molecular weight of 362.49 g/mol. Its IUPAC name is (6R)-6-(3-aminopropyl)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6R)-6-(3-aminopropyl)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-1,3-oxazinan-2-one
PubChem CID58109421
Molecular FormulaC21H31FN2O2
Molecular Weight362.49 g/mol
Exact Mass362.24
IUPAC Name(6R)-6-(3-aminopropyl)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-1,3-oxazinan-2-one
SMILESC[C@@H](C1CCCCC1)N1CC[C@](CCCN)(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C21H31FN2O2/c1-16(17-6-3-2-4-7-17)24-15-13-21(12-5-14-23,26-20(24)25)18-8-10-19(22)11-9-18/h8-11,16-17H,2-7,12-15,23H2,1H3/t16-,21+/m0/s1
InChIKeyGRTQEYUUORBIHX-HRAATJIYSA-N
XLogP4.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(3-aminopropyl)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-1,3-oxazinan-2-one?
The IUPAC name of (6R)-6-(3-aminopropyl)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-1,3-oxazinan-2-one (CID 58109421) is (6R)-6-(3-aminopropyl)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for (6R)-6-(3-aminopropyl)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-1,3-oxazinan-2-one?
The canonical SMILES for (6R)-6-(3-aminopropyl)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-1,3-oxazinan-2-one is C[C@@H](C1CCCCC1)N1CC[C@](CCCN)(c2ccc(F)cc2)OC1=O.
What is the InChIKey of (6R)-6-(3-aminopropyl)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-1,3-oxazinan-2-one?
The InChIKey is GRTQEYUUORBIHX-HRAATJIYSA-N. The full InChI is InChI=1S/C21H31FN2O2/c1-16(17-6-3-2-4-7-17)24-15-13-21(12-5-14-23,26-20(24)25)18-8-10-19(22)11-9-18/h8-11,16-17H,2-7,12-15,23H2,1H3/t16-,21+/m0/s1.
What are the key properties of (6R)-6-(3-aminopropyl)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-1,3-oxazinan-2-one?
(6R)-6-(3-aminopropyl)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-1,3-oxazinan-2-one has a molecular weight of 362.49 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(3-aminopropyl)-3-[(1S)-1-cyclohexylethyl]-6-(4-fluorophenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 58109421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).