4-chloro-N'-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide

C19H14ClF2N3O3 — CID 55485978

IUPAC4-chloro-N'-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2F)o1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClF2N3O3/c20-12-3-1-11(2-4-12)19(27)25-24-17(26)7-8-18-23-10-16(28-18)14-6-5-13(21)9-15(14)22/h1-6,9-10H,7-8H2,(H,24,26)(H,25,27)
InChIKeyKUQYIWLWZSJGNR-UHFFFAOYSA-N
MW405.79 g/mol
LogP3.67
Rot. Bonds5

About 4-chloro-N'-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide

4-chloro-N'-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide (PubChem CID 55485978) has the molecular formula C19H14ClF2N3O3 and a molecular weight of 405.79 g/mol. Its IUPAC name is 4-chloro-N'-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide
PubChem CID55485978
Molecular FormulaC19H14ClF2N3O3
Molecular Weight405.79 g/mol
Exact Mass405.07
IUPAC Name4-chloro-N'-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2F)o1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClF2N3O3/c20-12-3-1-11(2-4-12)19(27)25-24-17(26)7-8-18-23-10-16(28-18)14-6-5-13(21)9-15(14)22/h1-6,9-10H,7-8H2,(H,24,26)(H,25,27)
InChIKeyKUQYIWLWZSJGNR-UHFFFAOYSA-N
XLogP3.67
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.79
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590665
N-(2-aminoethyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119383503
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 29476568
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119501785
3-chloro-N'-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide
CID 46689686
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 18162891
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 16590473
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 87043584
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 25475952
N-(5-chloro-2-phenoxyphenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16593328
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16593746
2-cyclopropyl-2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]acetic acid
CID 119213751

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide (CID 55485978) is 4-chloro-N'-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide is O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide?
The InChIKey is KUQYIWLWZSJGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3O3/c20-12-3-1-11(2-4-12)19(27)25-24-17(26)7-8-18-23-10-16(28-18)14-6-5-13(21)9-15(14)22/h1-6,9-10H,7-8H2,(H,24,26)(H,25,27).
What are the key properties of 4-chloro-N'-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide?
4-chloro-N'-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide has a molecular weight of 405.79 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide is sourced from PubChem (CID 55485978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).