5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide

C11H20N4O3 — CID 63579150

IUPAC5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
SMILESCC(C)N(CCCO)Cc1cc(C(=O)NN)no1
InChIInChI=1S/C11H20N4O3/c1-8(2)15(4-3-5-16)7-9-6-10(14-18-9)11(17)13-12/h6,8,16H,3-5,7,12H2,1-2H3,(H,13,17)
InChIKeyRJGPTWQKSUIQHB-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.13
Rot. Bonds7

About 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide

5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63579150) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63579150
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
SMILESCC(C)N(CCCO)Cc1cc(C(=O)NN)no1
InChIInChI=1S/C11H20N4O3/c1-8(2)15(4-3-5-16)7-9-6-10(14-18-9)11(17)13-12/h6,8,16H,3-5,7,12H2,1-2H3,(H,13,17)
InChIKeyRJGPTWQKSUIQHB-UHFFFAOYSA-N
XLogP-0.13
TPSA104.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-propan-2-ylamino]acetamide
CID 63583631
5-[[5-hydroxypentyl(methyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 107206508
5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63570255
5-[[butan-2-yl(ethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63572716
5-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63572496
5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide
CID 63578253
5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 112666606
2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-methylamino]acetamide
CID 63571778
5-(3-hydroxybutan-2-ylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide
CID 107772095
5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569750
5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63571789
5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 79494594

Frequently Asked Questions

What is the IUPAC name of 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide (CID 63579150) is 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide is CC(C)N(CCCO)Cc1cc(C(=O)NN)no1.
What is the InChIKey of 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is RJGPTWQKSUIQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-8(2)15(4-3-5-16)7-9-6-10(14-18-9)11(17)13-12/h6,8,16H,3-5,7,12H2,1-2H3,(H,13,17).
What are the key properties of 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 256.31 g/mol, XLogP of -0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63579150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).