(2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide

C16H23N3O3 — CID 144973571

IUPAC(2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide
SMILESCCC[C@@H](C(=O)NNc1ccccc1)N1COCC(C)C1=O
InChIInChI=1S/C16H23N3O3/c1-3-7-14(19-11-22-10-12(2)16(19)21)15(20)18-17-13-8-5-4-6-9-13/h4-6,8-9,12,14,17H,3,7,10-11H2,1-2H3,(H,18,20)/t12?,14-/m0/s1
InChIKeyNBUMFAYDMYLFQT-PYMCNQPYSA-N
MW305.38 g/mol
LogP1.75
Rot. Bonds6

About (2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide

(2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide (PubChem CID 144973571) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide.

Molecular Properties

Compound Name(2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide
PubChem CID144973571
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide
SMILESCCC[C@@H](C(=O)NNc1ccccc1)N1COCC(C)C1=O
InChIInChI=1S/C16H23N3O3/c1-3-7-14(19-11-22-10-12(2)16(19)21)15(20)18-17-13-8-5-4-6-9-13/h4-6,8-9,12,14,17H,3,7,10-11H2,1-2H3,(H,18,20)/t12?,14-/m0/s1
InChIKeyNBUMFAYDMYLFQT-PYMCNQPYSA-N
XLogP1.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide?
The IUPAC name of (2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide (CID 144973571) is (2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide.
What is the SMILES notation for (2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide?
The canonical SMILES for (2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide is CCC[C@@H](C(=O)NNc1ccccc1)N1COCC(C)C1=O.
What is the InChIKey of (2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide?
The InChIKey is NBUMFAYDMYLFQT-PYMCNQPYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-3-7-14(19-11-22-10-12(2)16(19)21)15(20)18-17-13-8-5-4-6-9-13/h4-6,8-9,12,14,17H,3,7,10-11H2,1-2H3,(H,18,20)/t12?,14-/m0/s1.
What are the key properties of (2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide?
(2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide has a molecular weight of 305.38 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide is sourced from PubChem (CID 144973571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).