4-hydroxy-N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]-1-phenylpyrazole-3-carbohydrazide

C21H19N5O5 — CID 46657656

IUPAC4-hydroxy-N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]-1-phenylpyrazole-3-carbohydrazide
SMILESO=C(CCCn1c(=O)oc2ccccc21)NNC(=O)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C21H19N5O5/c27-16-13-26(14-7-2-1-3-8-14)24-19(16)20(29)23-22-18(28)11-6-12-25-15-9-4-5-10-17(15)31-21(25)30/h1-5,7-10,13,27H,6,11-12H2,(H,22,28)(H,23,29)
InChIKeyWJNQGKWJMXLALJ-UHFFFAOYSA-N
MW421.41 g/mol
LogP1.73
Rot. Bonds6

About 4-hydroxy-N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]-1-phenylpyrazole-3-carbohydrazide

4-hydroxy-N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]-1-phenylpyrazole-3-carbohydrazide (PubChem CID 46657656) has the molecular formula C21H19N5O5 and a molecular weight of 421.41 g/mol. Its IUPAC name is 4-hydroxy-N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]-1-phenylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-hydroxy-N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]-1-phenylpyrazole-3-carbohydrazide
PubChem CID46657656
Molecular FormulaC21H19N5O5
Molecular Weight421.41 g/mol
Exact Mass421.14
IUPAC Name4-hydroxy-N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]-1-phenylpyrazole-3-carbohydrazide
SMILESO=C(CCCn1c(=O)oc2ccccc21)NNC(=O)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C21H19N5O5/c27-16-13-26(14-7-2-1-3-8-14)24-19(16)20(29)23-22-18(28)11-6-12-25-15-9-4-5-10-17(15)31-21(25)30/h1-5,7-10,13,27H,6,11-12H2,(H,22,28)(H,23,29)
InChIKeyWJNQGKWJMXLALJ-UHFFFAOYSA-N
XLogP1.73
TPSA131.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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CID 17478623
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N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]thiophene-2-carbohydrazide
CID 4789093
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyrazol-1-ylphenyl)butanamide
CID 31907341
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CID 46657520
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CID 27566522
N'-[2-(4-chlorophenyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17483063
N',N'-dibenzyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide
CID 9293605
N'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide
CID 18121118
1-(2-fluorophenyl)-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]thiourea
CID 9468603
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 55370068
4-hydroxy-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]-1-phenylpyrazole-3-carbohydrazide
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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]-1-phenylpyrazole-3-carbohydrazide?
The IUPAC name of 4-hydroxy-N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]-1-phenylpyrazole-3-carbohydrazide (CID 46657656) is 4-hydroxy-N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]-1-phenylpyrazole-3-carbohydrazide.
What is the SMILES notation for 4-hydroxy-N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]-1-phenylpyrazole-3-carbohydrazide?
The canonical SMILES for 4-hydroxy-N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]-1-phenylpyrazole-3-carbohydrazide is O=C(CCCn1c(=O)oc2ccccc21)NNC(=O)c1nn(-c2ccccc2)cc1O.
What is the InChIKey of 4-hydroxy-N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]-1-phenylpyrazole-3-carbohydrazide?
The InChIKey is WJNQGKWJMXLALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O5/c27-16-13-26(14-7-2-1-3-8-14)24-19(16)20(29)23-22-18(28)11-6-12-25-15-9-4-5-10-17(15)31-21(25)30/h1-5,7-10,13,27H,6,11-12H2,(H,22,28)(H,23,29).
What are the key properties of 4-hydroxy-N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]-1-phenylpyrazole-3-carbohydrazide?
4-hydroxy-N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]-1-phenylpyrazole-3-carbohydrazide has a molecular weight of 421.41 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]-1-phenylpyrazole-3-carbohydrazide is sourced from PubChem (CID 46657656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).