(4S,5S)-5-methyl-4-propan-2-yl-1,3-oxazinan-2-one

C8H15NO2 — CID 102164344

IUPAC(4S,5S)-5-methyl-4-propan-2-yl-1,3-oxazinan-2-one
SMILESCC(C)[C@@H]1NC(=O)OC[C@H]1C
InChIInChI=1S/C8H15NO2/c1-5(2)7-6(3)4-11-8(10)9-7/h5-7H,4H2,1-3H3,(H,9,10)/t6-,7+/m1/s1
InChIKeyMSYBADFQDSXIHA-RQJHMYQMSA-N
MW157.21 g/mol
LogP1.39
Rot. Bonds1

About (4S,5S)-5-methyl-4-propan-2-yl-1,3-oxazinan-2-one

(4S,5S)-5-methyl-4-propan-2-yl-1,3-oxazinan-2-one (PubChem CID 102164344) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (4S,5S)-5-methyl-4-propan-2-yl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4S,5S)-5-methyl-4-propan-2-yl-1,3-oxazinan-2-one
PubChem CID102164344
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(4S,5S)-5-methyl-4-propan-2-yl-1,3-oxazinan-2-one
SMILESCC(C)[C@@H]1NC(=O)OC[C@H]1C
InChIInChI=1S/C8H15NO2/c1-5(2)7-6(3)4-11-8(10)9-7/h5-7H,4H2,1-3H3,(H,9,10)/t6-,7+/m1/s1
InChIKeyMSYBADFQDSXIHA-RQJHMYQMSA-N
XLogP1.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-methyl-1,3-oxazinan-2-one
CID 118600767
(4S)-4-methyl-1,3-oxazinan-2-one
CID 177801697
tert-butyl N-(oxan-4-yl)carbamate
CID 63788698
(4R,6S)-4-ethyl-6-(2-methylpropyl)-1,3-oxazinan-2-one
CID 11389810
(4R)-4-[(2S)-butan-2-yl]-1,3-oxazinan-2-one
CID 134968305
(4R)-4-propyl-1,3-oxazinan-2-one
CID 162410725
(4R)-4-ethyl-1,3-oxazinan-2-one
CID 162410726
4-Methyl-1,3-oxazinan-2-one
CID 12202794
5-Ethyl-1,3-oxazinan-2-one
CID 54164350
3-Methyl-4-propan-2-yl-1,3-oxazinan-2-one
CID 58655386
oxan-4-yl N-(2,4-dimethylpentan-3-yl)carbamate
CID 59481475
butyl N-(oxan-4-yl)carbamate
CID 59526633

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-methyl-4-propan-2-yl-1,3-oxazinan-2-one?
The IUPAC name of (4S,5S)-5-methyl-4-propan-2-yl-1,3-oxazinan-2-one (CID 102164344) is (4S,5S)-5-methyl-4-propan-2-yl-1,3-oxazinan-2-one.
What is the SMILES notation for (4S,5S)-5-methyl-4-propan-2-yl-1,3-oxazinan-2-one?
The canonical SMILES for (4S,5S)-5-methyl-4-propan-2-yl-1,3-oxazinan-2-one is CC(C)[C@@H]1NC(=O)OC[C@H]1C.
What is the InChIKey of (4S,5S)-5-methyl-4-propan-2-yl-1,3-oxazinan-2-one?
The InChIKey is MSYBADFQDSXIHA-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5(2)7-6(3)4-11-8(10)9-7/h5-7H,4H2,1-3H3,(H,9,10)/t6-,7+/m1/s1.
What are the key properties of (4S,5S)-5-methyl-4-propan-2-yl-1,3-oxazinan-2-one?
(4S,5S)-5-methyl-4-propan-2-yl-1,3-oxazinan-2-one has a molecular weight of 157.21 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-methyl-4-propan-2-yl-1,3-oxazinan-2-one is sourced from PubChem (CID 102164344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).