N'-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]pyridine-3-carbohydrazide

C18H15FN4O3 — CID 51309624

IUPACN'-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]pyridine-3-carbohydrazide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)NNC(=O)c1cccnc1
InChIInChI=1S/C18H15FN4O3/c19-14-5-3-12(4-6-14)15-11-21-17(26-15)8-7-16(24)22-23-18(25)13-2-1-9-20-10-13/h1-6,9-11H,7-8H2,(H,22,24)(H,23,25)
InChIKeyVKLOHZCPCSFTSD-UHFFFAOYSA-N
MW354.34 g/mol
LogP2.27
Rot. Bonds5

About N'-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]pyridine-3-carbohydrazide

N'-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]pyridine-3-carbohydrazide (PubChem CID 51309624) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is N'-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]pyridine-3-carbohydrazide
PubChem CID51309624
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC NameN'-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]pyridine-3-carbohydrazide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)NNC(=O)c1cccnc1
InChIInChI=1S/C18H15FN4O3/c19-14-5-3-12(4-6-14)15-11-21-17(26-15)8-7-16(24)22-23-18(25)13-2-1-9-20-10-13/h1-6,9-11H,7-8H2,(H,22,24)(H,23,25)
InChIKeyVKLOHZCPCSFTSD-UHFFFAOYSA-N
XLogP2.27
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.27
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-chloro-N'-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide
CID 46689686
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide
CID 43039178
N'-[3-(5-phenylfuran-2-yl)propanoyl]pyridine-3-carbohydrazide
CID 51157515
4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide
CID 16598099
N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide
CID 30133076
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316
N-[(2-fluorophenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17493813
N-ethyl-4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
CID 55802153
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
CID 24957460
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 30839863
4-chloro-N'-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide
CID 55485978
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)propanamide
CID 17437982

Frequently Asked Questions

What is the IUPAC name of N'-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]pyridine-3-carbohydrazide (CID 51309624) is N'-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]pyridine-3-carbohydrazide is O=C(CCc1ncc(-c2ccc(F)cc2)o1)NNC(=O)c1cccnc1.
What is the InChIKey of N'-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]pyridine-3-carbohydrazide?
The InChIKey is VKLOHZCPCSFTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3/c19-14-5-3-12(4-6-14)15-11-21-17(26-15)8-7-16(24)22-23-18(25)13-2-1-9-20-10-13/h1-6,9-11H,7-8H2,(H,22,24)(H,23,25).
What are the key properties of N'-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]pyridine-3-carbohydrazide?
N'-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]pyridine-3-carbohydrazide has a molecular weight of 354.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 51309624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).