3-(furan-2-yl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]propanehydrazide

C17H17N3O5 — CID 17431901

IUPAC3-(furan-2-yl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]propanehydrazide
SMILESO=C(CCc1ccco1)NNC(=O)CN1C(=O)COc2ccccc21
InChIInChI=1S/C17H17N3O5/c21-15(8-7-12-4-3-9-24-12)18-19-16(22)10-20-13-5-1-2-6-14(13)25-11-17(20)23/h1-6,9H,7-8,10-11H2,(H,18,21)(H,19,22)
InChIKeyCMBIMITVKRRNAI-UHFFFAOYSA-N
MW343.34 g/mol
LogP0.79
Rot. Bonds5

About 3-(furan-2-yl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]propanehydrazide

3-(furan-2-yl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]propanehydrazide (PubChem CID 17431901) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is 3-(furan-2-yl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-(furan-2-yl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]propanehydrazide
PubChem CID17431901
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name3-(furan-2-yl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]propanehydrazide
SMILESO=C(CCc1ccco1)NNC(=O)CN1C(=O)COc2ccccc21
InChIInChI=1S/C17H17N3O5/c21-15(8-7-12-4-3-9-24-12)18-19-16(22)10-20-13-5-1-2-6-14(13)25-11-17(20)23/h1-6,9H,7-8,10-11H2,(H,18,21)(H,19,22)
InChIKeyCMBIMITVKRRNAI-UHFFFAOYSA-N
XLogP0.79
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-morpholin-4-yl-4-oxo-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]butanehydrazide
CID 9237466
2-(3-fluorophenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]acetohydrazide
CID 9237538
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18146099
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 55526571
2-(3-oxo-1,4-benzoxazin-4-yl)-N-phenylmethoxyacetamide
CID 51072486
(E)-3-(2-methylphenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]prop-2-enehydrazide
CID 9236639
N-(furan-2-ylmethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 8832706
N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 18120641
N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetohydrazide
CID 9236472
2-(3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 9236392
N-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 2993365
4-methyl-4-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentanoic acid
CID 119203630

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]propanehydrazide?
The IUPAC name of 3-(furan-2-yl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]propanehydrazide (CID 17431901) is 3-(furan-2-yl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]propanehydrazide.
What is the SMILES notation for 3-(furan-2-yl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]propanehydrazide?
The canonical SMILES for 3-(furan-2-yl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]propanehydrazide is O=C(CCc1ccco1)NNC(=O)CN1C(=O)COc2ccccc21.
What is the InChIKey of 3-(furan-2-yl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]propanehydrazide?
The InChIKey is CMBIMITVKRRNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c21-15(8-7-12-4-3-9-24-12)18-19-16(22)10-20-13-5-1-2-6-14(13)25-11-17(20)23/h1-6,9H,7-8,10-11H2,(H,18,21)(H,19,22).
What are the key properties of 3-(furan-2-yl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]propanehydrazide?
3-(furan-2-yl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]propanehydrazide has a molecular weight of 343.34 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]propanehydrazide is sourced from PubChem (CID 17431901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).