3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzohydrazide;hydrochloride

C17H16ClN3O3 — CID 68978229

IUPAC3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzohydrazide;hydrochloride
SMILESCOc1ccc(-c2cnc(-c3cccc(C(=O)NN)c3)o2)cc1.Cl
InChIInChI=1S/C17H15N3O3.ClH/c1-22-14-7-5-11(6-8-14)15-10-19-17(23-15)13-4-2-3-12(9-13)16(21)20-18;/h2-10H,18H2,1H3,(H,20,21);1H
InChIKeyFIFHPCJEFCWPLK-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.04
Rot. Bonds4

About 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzohydrazide;hydrochloride

3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzohydrazide;hydrochloride (PubChem CID 68978229) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzohydrazide;hydrochloride.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzohydrazide;hydrochloride
PubChem CID68978229
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzohydrazide;hydrochloride
SMILESCOc1ccc(-c2cnc(-c3cccc(C(=O)NN)c3)o2)cc1.Cl
InChIInChI=1S/C17H15N3O3.ClH/c1-22-14-7-5-11(6-8-14)15-10-19-17(23-15)13-4-2-3-12(9-13)16(21)20-18;/h2-10H,18H2,1H3,(H,20,21);1H
InChIKeyFIFHPCJEFCWPLK-UHFFFAOYSA-N
XLogP3.04
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 58804845
2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,3-oxazole
CID 58157224
3-[2-(3-carboxyphenyl)-1,3-oxazol-5-yl]benzoic acid
CID 57037595
5-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-2-methylaniline
CID 143054394
4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-2-amine
CID 71401542
5-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-oxazole
CID 928446
N-[1-hydroxy-2-oxo-2-(1-phenylethylamino)ethyl]-3-[[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]methyl]benzamide
CID 59991727
2-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-oxazole
CID 10422311
N-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-2-carboxamide
CID 16949912
N-tert-butyl-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100501904
N-(3-bromophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502390
[4-(5-phenyl-1,3-oxazol-2-yl)phenyl] acetate
CID 24962592

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzohydrazide;hydrochloride?
The IUPAC name of 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzohydrazide;hydrochloride (CID 68978229) is 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzohydrazide;hydrochloride.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzohydrazide;hydrochloride?
The canonical SMILES for 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzohydrazide;hydrochloride is COc1ccc(-c2cnc(-c3cccc(C(=O)NN)c3)o2)cc1.Cl.
What is the InChIKey of 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzohydrazide;hydrochloride?
The InChIKey is FIFHPCJEFCWPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3.ClH/c1-22-14-7-5-11(6-8-14)15-10-19-17(23-15)13-4-2-3-12(9-13)16(21)20-18;/h2-10H,18H2,1H3,(H,20,21);1H.
What are the key properties of 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzohydrazide;hydrochloride?
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzohydrazide;hydrochloride has a molecular weight of 345.79 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzohydrazide;hydrochloride is sourced from PubChem (CID 68978229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).