(4R)-4-[4-(benzylamino)phenyl]-1,3-oxazinan-2-one;hydrochloride

C17H19ClN2O2 — CID 171184918

IUPAC(4R)-4-[4-(benzylamino)phenyl]-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2ccc(NCc3ccccc3)cc2)CCO1
InChIInChI=1S/C17H18N2O2.ClH/c20-17-19-16(10-11-21-17)14-6-8-15(9-7-14)18-12-13-4-2-1-3-5-13;/h1-9,16,18H,10-12H2,(H,19,20);1H/t16-;/m1./s1
InChIKeyRLQAWUWXSHLBDB-PKLMIRHRSA-N
MW318.80 g/mol
LogP3.89
Rot. Bonds4

About (4R)-4-[4-(benzylamino)phenyl]-1,3-oxazinan-2-one;hydrochloride

(4R)-4-[4-(benzylamino)phenyl]-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171184918) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is (4R)-4-[4-(benzylamino)phenyl]-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-[4-(benzylamino)phenyl]-1,3-oxazinan-2-one;hydrochloride
PubChem CID171184918
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name(4R)-4-[4-(benzylamino)phenyl]-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2ccc(NCc3ccccc3)cc2)CCO1
InChIInChI=1S/C17H18N2O2.ClH/c20-17-19-16(10-11-21-17)14-6-8-15(9-7-14)18-12-13-4-2-1-3-5-13;/h1-9,16,18H,10-12H2,(H,19,20);1H/t16-;/m1./s1
InChIKeyRLQAWUWXSHLBDB-PKLMIRHRSA-N
XLogP3.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(4-phenoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185191
(4R)-4-[4-(benzylamino)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187856
(4S)-4-naphthalen-2-yl-1,3-oxazinan-2-one;hydrochloride
CID 171185570
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
(4R)-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one
CID 171185374
(4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185519
(4S)-4-(3-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185449
(4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one
CID 171184906
(4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185520
(4R)-4-(2-hydroxy-4-phenylmethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185405
CID 163931246
CID 163931246
(4R)-4-(3,5-difluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184997

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(benzylamino)phenyl]-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-4-[4-(benzylamino)phenyl]-1,3-oxazinan-2-one;hydrochloride (CID 171184918) is (4R)-4-[4-(benzylamino)phenyl]-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-[4-(benzylamino)phenyl]-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-4-[4-(benzylamino)phenyl]-1,3-oxazinan-2-one;hydrochloride is Cl.O=C1N[C@@H](c2ccc(NCc3ccccc3)cc2)CCO1.
What is the InChIKey of (4R)-4-[4-(benzylamino)phenyl]-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is RLQAWUWXSHLBDB-PKLMIRHRSA-N. The full InChI is InChI=1S/C17H18N2O2.ClH/c20-17-19-16(10-11-21-17)14-6-8-15(9-7-14)18-12-13-4-2-1-3-5-13;/h1-9,16,18H,10-12H2,(H,19,20);1H/t16-;/m1./s1.
What are the key properties of (4R)-4-[4-(benzylamino)phenyl]-1,3-oxazinan-2-one;hydrochloride?
(4R)-4-[4-(benzylamino)phenyl]-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 318.80 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(benzylamino)phenyl]-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171184918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).