N'-[[4-(3-chlorophenyl)phenyl]methyl]-3-oxo-1,2-oxazole-5-carbohydrazide

C17H14ClN3O3 — CID 141386136

IUPACN'-[[4-(3-chlorophenyl)phenyl]methyl]-3-oxo-1,2-oxazole-5-carbohydrazide
SMILESO=C(NNCc1ccc(-c2cccc(Cl)c2)cc1)c1cc(=O)[nH]o1
InChIInChI=1S/C17H14ClN3O3/c18-14-3-1-2-13(8-14)12-6-4-11(5-7-12)10-19-20-17(23)15-9-16(22)21-24-15/h1-9,19H,10H2,(H,20,23)(H,21,22)
InChIKeyQTNWIJHAFMVGDW-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.72
Rot. Bonds5

About N'-[[4-(3-chlorophenyl)phenyl]methyl]-3-oxo-1,2-oxazole-5-carbohydrazide

N'-[[4-(3-chlorophenyl)phenyl]methyl]-3-oxo-1,2-oxazole-5-carbohydrazide (PubChem CID 141386136) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is N'-[[4-(3-chlorophenyl)phenyl]methyl]-3-oxo-1,2-oxazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[[4-(3-chlorophenyl)phenyl]methyl]-3-oxo-1,2-oxazole-5-carbohydrazide
PubChem CID141386136
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC NameN'-[[4-(3-chlorophenyl)phenyl]methyl]-3-oxo-1,2-oxazole-5-carbohydrazide
SMILESO=C(NNCc1ccc(-c2cccc(Cl)c2)cc1)c1cc(=O)[nH]o1
InChIInChI=1S/C17H14ClN3O3/c18-14-3-1-2-13(8-14)12-6-4-11(5-7-12)10-19-20-17(23)15-9-16(22)21-24-15/h1-9,19H,10H2,(H,20,23)(H,21,22)
InChIKeyQTNWIJHAFMVGDW-UHFFFAOYSA-N
XLogP2.72
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[[4-(3-chlorophenyl)phenyl]methyl]-3-oxo-1,2-oxazole-5-carbohydrazide?
The IUPAC name of N'-[[4-(3-chlorophenyl)phenyl]methyl]-3-oxo-1,2-oxazole-5-carbohydrazide (CID 141386136) is N'-[[4-(3-chlorophenyl)phenyl]methyl]-3-oxo-1,2-oxazole-5-carbohydrazide.
What is the SMILES notation for N'-[[4-(3-chlorophenyl)phenyl]methyl]-3-oxo-1,2-oxazole-5-carbohydrazide?
The canonical SMILES for N'-[[4-(3-chlorophenyl)phenyl]methyl]-3-oxo-1,2-oxazole-5-carbohydrazide is O=C(NNCc1ccc(-c2cccc(Cl)c2)cc1)c1cc(=O)[nH]o1.
What is the InChIKey of N'-[[4-(3-chlorophenyl)phenyl]methyl]-3-oxo-1,2-oxazole-5-carbohydrazide?
The InChIKey is QTNWIJHAFMVGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c18-14-3-1-2-13(8-14)12-6-4-11(5-7-12)10-19-20-17(23)15-9-16(22)21-24-15/h1-9,19H,10H2,(H,20,23)(H,21,22).
What are the key properties of N'-[[4-(3-chlorophenyl)phenyl]methyl]-3-oxo-1,2-oxazole-5-carbohydrazide?
N'-[[4-(3-chlorophenyl)phenyl]methyl]-3-oxo-1,2-oxazole-5-carbohydrazide has a molecular weight of 343.77 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(3-chlorophenyl)phenyl]methyl]-3-oxo-1,2-oxazole-5-carbohydrazide is sourced from PubChem (CID 141386136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).