5-[(2R)-2-hydroxypentan-2-yl]-1,2-oxazole-3-carbohydrazide

C9H15N3O3 — CID 42587700

IUPAC5-[(2R)-2-hydroxypentan-2-yl]-1,2-oxazole-3-carbohydrazide
SMILESCCC[C@@](C)(O)c1cc(C(=O)NN)no1
InChIInChI=1S/C9H15N3O3/c1-3-4-9(2,14)7-5-6(12-15-7)8(13)11-10/h5,14H,3-4,10H2,1-2H3,(H,11,13)/t9-/m1/s1
InChIKeyUXBHBBHHHJFNAO-SECBINFHSA-N
MW213.24 g/mol
LogP0.29
Rot. Bonds4

About 5-[(2R)-2-hydroxypentan-2-yl]-1,2-oxazole-3-carbohydrazide

5-[(2R)-2-hydroxypentan-2-yl]-1,2-oxazole-3-carbohydrazide (PubChem CID 42587700) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-[(2R)-2-hydroxypentan-2-yl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2R)-2-hydroxypentan-2-yl]-1,2-oxazole-3-carbohydrazide
PubChem CID42587700
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name5-[(2R)-2-hydroxypentan-2-yl]-1,2-oxazole-3-carbohydrazide
SMILESCCC[C@@](C)(O)c1cc(C(=O)NN)no1
InChIInChI=1S/C9H15N3O3/c1-3-4-9(2,14)7-5-6(12-15-7)8(13)11-10/h5,14H,3-4,10H2,1-2H3,(H,11,13)/t9-/m1/s1
InChIKeyUXBHBBHHHJFNAO-SECBINFHSA-N
XLogP0.29
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-hydroxypentan-2-yl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(2R)-2-hydroxypentan-2-yl]-1,2-oxazole-3-carbohydrazide (CID 42587700) is 5-[(2R)-2-hydroxypentan-2-yl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(2R)-2-hydroxypentan-2-yl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(2R)-2-hydroxypentan-2-yl]-1,2-oxazole-3-carbohydrazide is CCC[C@@](C)(O)c1cc(C(=O)NN)no1.
What is the InChIKey of 5-[(2R)-2-hydroxypentan-2-yl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is UXBHBBHHHJFNAO-SECBINFHSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-3-4-9(2,14)7-5-6(12-15-7)8(13)11-10/h5,14H,3-4,10H2,1-2H3,(H,11,13)/t9-/m1/s1.
What are the key properties of 5-[(2R)-2-hydroxypentan-2-yl]-1,2-oxazole-3-carbohydrazide?
5-[(2R)-2-hydroxypentan-2-yl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 213.24 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-hydroxypentan-2-yl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 42587700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).