(5S,6S)-6-(2,6-dichlorophenyl)-5-hydroxy-4-methyl-1,3-oxazinan-2-one

C11H11Cl2NO3 — CID 71182300

IUPAC(5S,6S)-6-(2,6-dichlorophenyl)-5-hydroxy-4-methyl-1,3-oxazinan-2-one
SMILESCC1NC(=O)O[C@@H](c2c(Cl)cccc2Cl)[C@H]1O
InChIInChI=1S/C11H11Cl2NO3/c1-5-9(15)10(17-11(16)14-5)8-6(12)3-2-4-7(8)13/h2-5,9-10,15H,1H3,(H,14,16)/t5?,9-,10-/m0/s1
InChIKeyRICYHQZRPJWJND-YCLVYHGFSA-N
MW276.12 g/mol
LogP2.52
Rot. Bonds1

About (5S,6S)-6-(2,6-dichlorophenyl)-5-hydroxy-4-methyl-1,3-oxazinan-2-one

(5S,6S)-6-(2,6-dichlorophenyl)-5-hydroxy-4-methyl-1,3-oxazinan-2-one (PubChem CID 71182300) has the molecular formula C11H11Cl2NO3 and a molecular weight of 276.12 g/mol. Its IUPAC name is (5S,6S)-6-(2,6-dichlorophenyl)-5-hydroxy-4-methyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(5S,6S)-6-(2,6-dichlorophenyl)-5-hydroxy-4-methyl-1,3-oxazinan-2-one
PubChem CID71182300
Molecular FormulaC11H11Cl2NO3
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name(5S,6S)-6-(2,6-dichlorophenyl)-5-hydroxy-4-methyl-1,3-oxazinan-2-one
SMILESCC1NC(=O)O[C@@H](c2c(Cl)cccc2Cl)[C@H]1O
InChIInChI=1S/C11H11Cl2NO3/c1-5-9(15)10(17-11(16)14-5)8-6(12)3-2-4-7(8)13/h2-5,9-10,15H,1H3,(H,14,16)/t5?,9-,10-/m0/s1
InChIKeyRICYHQZRPJWJND-YCLVYHGFSA-N
XLogP2.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl (R)-(2-(2-chlorophenyl)-2-hydroxyethyl)carbamate
CID 97574298
benzyl N-[1-(2-chlorophenyl)-4,4,4-trifluoro-3-hydroxybutan-2-yl]carbamate
CID 10157062
tert-butyl N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]carbamate
CID 165705323
tert-butyl N-[1-(2-chloro-6-fluorophenyl)-1-hydroxybutan-2-yl]carbamate
CID 165769240
benzyl N-[1-(2-chloro-6-fluorophenyl)-1-hydroxybutan-2-yl]carbamate
CID 165927088
benzyl N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]carbamate
CID 165933201
benzyl N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]carbamate
CID 165933369
tert-butyl N-[3-(2-chloro-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170831678
tert-butyl N-[3-(2-chloro-4-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170831679
tert-butyl N-[3-(2-chloro-6-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170831681
tert-butyl N-[3-(2-chloro-3-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170831683
tert-butyl N-[3-(2,6-dichloro-4-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170831929

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6-(2,6-dichlorophenyl)-5-hydroxy-4-methyl-1,3-oxazinan-2-one?
The IUPAC name of (5S,6S)-6-(2,6-dichlorophenyl)-5-hydroxy-4-methyl-1,3-oxazinan-2-one (CID 71182300) is (5S,6S)-6-(2,6-dichlorophenyl)-5-hydroxy-4-methyl-1,3-oxazinan-2-one.
What is the SMILES notation for (5S,6S)-6-(2,6-dichlorophenyl)-5-hydroxy-4-methyl-1,3-oxazinan-2-one?
The canonical SMILES for (5S,6S)-6-(2,6-dichlorophenyl)-5-hydroxy-4-methyl-1,3-oxazinan-2-one is CC1NC(=O)O[C@@H](c2c(Cl)cccc2Cl)[C@H]1O.
What is the InChIKey of (5S,6S)-6-(2,6-dichlorophenyl)-5-hydroxy-4-methyl-1,3-oxazinan-2-one?
The InChIKey is RICYHQZRPJWJND-YCLVYHGFSA-N. The full InChI is InChI=1S/C11H11Cl2NO3/c1-5-9(15)10(17-11(16)14-5)8-6(12)3-2-4-7(8)13/h2-5,9-10,15H,1H3,(H,14,16)/t5?,9-,10-/m0/s1.
What are the key properties of (5S,6S)-6-(2,6-dichlorophenyl)-5-hydroxy-4-methyl-1,3-oxazinan-2-one?
(5S,6S)-6-(2,6-dichlorophenyl)-5-hydroxy-4-methyl-1,3-oxazinan-2-one has a molecular weight of 276.12 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-(2,6-dichlorophenyl)-5-hydroxy-4-methyl-1,3-oxazinan-2-one is sourced from PubChem (CID 71182300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).