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

C19H15Cl2N3O3 — CID 46689686

IUPAC3-chloro-N'-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H15Cl2N3O3/c20-14-6-4-12(5-7-14)16-11-22-18(27-16)9-8-17(25)23-24-19(26)13-2-1-3-15(21)10-13/h1-7,10-11H,8-9H2,(H,23,25)(H,24,26)
InChIKeyOLDQFOAUINVXIE-UHFFFAOYSA-N
MW404.25 g/mol
LogP4.04
Rot. Bonds5

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

3-chloro-N'-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide (PubChem CID 46689686) has the molecular formula C19H15Cl2N3O3 and a molecular weight of 404.25 g/mol. Its IUPAC name is 3-chloro-N'-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide
PubChem CID46689686
Molecular FormulaC19H15Cl2N3O3
Molecular Weight404.25 g/mol
Exact Mass403.05
IUPAC Name3-chloro-N'-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H15Cl2N3O3/c20-14-6-4-12(5-7-14)16-11-22-18(27-16)9-8-17(25)23-24-19(26)13-2-1-3-15(21)10-13/h1-7,10-11H,8-9H2,(H,23,25)(H,24,26)
InChIKeyOLDQFOAUINVXIE-UHFFFAOYSA-N
XLogP4.04
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.25
LogP ≤ 54.04
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-chlorophenyl)methyl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591216
N'-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]pyridine-3-carbohydrazide
CID 51309624
4-chloro-N'-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide
CID 55485978
3-chloro-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide
CID 9475645
N'-[3-(1,3-benzoxazol-2-yl)propanoyl]-3-chlorobenzohydrazide
CID 9428049
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103614
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
N-(2,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 51511272
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 87043583
N,N-diethyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]carbamoyl]benzenesulfonamide
CID 39717055
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide
CID 26047098
3-chloro-N'-[3-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide
CID 2109098

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide?
The IUPAC name of 3-chloro-N'-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide (CID 46689686) is 3-chloro-N'-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide.
What is the SMILES notation for 3-chloro-N'-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide?
The canonical SMILES for 3-chloro-N'-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide is O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide?
The InChIKey is OLDQFOAUINVXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O3/c20-14-6-4-12(5-7-14)16-11-22-18(27-16)9-8-17(25)23-24-19(26)13-2-1-3-15(21)10-13/h1-7,10-11H,8-9H2,(H,23,25)(H,24,26).
What are the key properties of 3-chloro-N'-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide?
3-chloro-N'-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide has a molecular weight of 404.25 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide is sourced from PubChem (CID 46689686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).