3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide

C23H23ClN4O3 — CID 26047098

IUPAC3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NNC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C23H23ClN4O3/c24-18-9-7-17(8-10-18)20-14-25-23(31-20)12-11-21(29)26-27-22(30)15-28-13-3-5-16-4-1-2-6-19(16)28/h1-2,4,6-10,14H,3,5,11-13,15H2,(H,26,29)(H,27,30)
InChIKeyKWRWKXRLZCRFKD-UHFFFAOYSA-N
MW438.92 g/mol
LogP3.53
Rot. Bonds6

About 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide (PubChem CID 26047098) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide
PubChem CID26047098
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NNC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C23H23ClN4O3/c24-18-9-7-17(8-10-18)20-14-25-23(31-20)12-11-21(29)26-27-22(30)15-28-13-3-5-16-4-1-2-6-19(16)28/h1-2,4,6-10,14H,3,5,11-13,15H2,(H,26,29)(H,27,30)
InChIKeyKWRWKXRLZCRFKD-UHFFFAOYSA-N
XLogP3.53
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.53
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

3-(4-chlorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide
CID 24554708
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide
CID 25336509
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 16593798
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 43039929
3-chloro-N'-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide
CID 46689686
2-(2,4-dichlorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]acetohydrazide
CID 7923511
N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 2548635
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
(3R)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanehydrazide
CID 8969590
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide
CID 55890052
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide
CID 7479503
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 55572146

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide (CID 26047098) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide is O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NNC(=O)CN1CCCc2ccccc21.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide?
The InChIKey is KWRWKXRLZCRFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c24-18-9-7-17(8-10-18)20-14-25-23(31-20)12-11-21(29)26-27-22(30)15-28-13-3-5-16-4-1-2-6-19(16)28/h1-2,4,6-10,14H,3,5,11-13,15H2,(H,26,29)(H,27,30).
What are the key properties of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide?
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide has a molecular weight of 438.92 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide is sourced from PubChem (CID 26047098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).