(4R)-2-(2-butylindazol-3-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide

C15H18N4O3 — CID 11120182

IUPAC(4R)-2-(2-butylindazol-3-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCCCCn1nc2ccccc2c1C1=N[C@@H](C(=O)NO)CO1
InChIInChI=1S/C15H18N4O3/c1-2-3-8-19-13(10-6-4-5-7-11(10)17-19)15-16-12(9-22-15)14(20)18-21/h4-7,12,21H,2-3,8-9H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyQDKORVGCTAKANW-GFCCVEGCSA-N
MW302.33 g/mol
LogP1.49
Rot. Bonds5

About (4R)-2-(2-butylindazol-3-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide

(4R)-2-(2-butylindazol-3-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 11120182) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is (4R)-2-(2-butylindazol-3-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-(2-butylindazol-3-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID11120182
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name(4R)-2-(2-butylindazol-3-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCCCCn1nc2ccccc2c1C1=N[C@@H](C(=O)NO)CO1
InChIInChI=1S/C15H18N4O3/c1-2-3-8-19-13(10-6-4-5-7-11(10)17-19)15-16-12(9-22-15)14(20)18-21/h4-7,12,21H,2-3,8-9H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyQDKORVGCTAKANW-GFCCVEGCSA-N
XLogP1.49
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 (4R)-2-(2-butylindazol-3-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of (4R)-2-(2-butylindazol-3-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 11120182) is (4R)-2-(2-butylindazol-3-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (4R)-2-(2-butylindazol-3-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for (4R)-2-(2-butylindazol-3-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide is CCCCn1nc2ccccc2c1C1=N[C@@H](C(=O)NO)CO1.
What is the InChIKey of (4R)-2-(2-butylindazol-3-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is QDKORVGCTAKANW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-2-3-8-19-13(10-6-4-5-7-11(10)17-19)15-16-12(9-22-15)14(20)18-21/h4-7,12,21H,2-3,8-9H2,1H3,(H,18,20)/t12-/m1/s1.
What are the key properties of (4R)-2-(2-butylindazol-3-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
(4R)-2-(2-butylindazol-3-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2-butylindazol-3-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 11120182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).