5-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carbohydrazide

C11H18N4O4 — CID 81211947

IUPAC5-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carbohydrazide
SMILESCC1COC(CO)CN1Cc1cc(C(=O)NN)no1
InChIInChI=1S/C11H18N4O4/c1-7-6-18-9(5-16)4-15(7)3-8-2-10(14-19-8)11(17)13-12/h2,7,9,16H,3-6,12H2,1H3,(H,13,17)
InChIKeyCDQZIYMOCVEGIK-UHFFFAOYSA-N
MW270.29 g/mol
LogP-1.14
Rot. Bonds4

About 5-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carbohydrazide

5-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 81211947) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID81211947
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name5-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carbohydrazide
SMILESCC1COC(CO)CN1Cc1cc(C(=O)NN)no1
InChIInChI=1S/C11H18N4O4/c1-7-6-18-9(5-16)4-15(7)3-8-2-10(14-19-8)11(17)13-12/h2,7,9,16H,3-6,12H2,1H3,(H,13,17)
InChIKeyCDQZIYMOCVEGIK-UHFFFAOYSA-N
XLogP-1.14
TPSA113.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397972
[5-methyl-4-(1,2-oxazol-5-ylmethyl)morpholin-2-yl]methanol
CID 81219706
5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 79507342
[4-[(2-aminophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81202901
5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569876
5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569942
5-[(3-methoxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 103540516
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide
CID 102728790
[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
CID 124512761
5-(azocan-1-ylmethyl)-1,2-oxazole-3-carbohydrazide
CID 63570998
5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63579229
[4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81213707

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carbohydrazide (CID 81211947) is 5-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carbohydrazide is CC1COC(CO)CN1Cc1cc(C(=O)NN)no1.
What is the InChIKey of 5-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is CDQZIYMOCVEGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-7-6-18-9(5-16)4-15(7)3-8-2-10(14-19-8)11(17)13-12/h2,7,9,16H,3-6,12H2,1H3,(H,13,17).
What are the key properties of 5-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carbohydrazide?
5-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 270.29 g/mol, XLogP of -1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 81211947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).