[5-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]hydrazine

C17H18N4O3 — CID 91681625

IUPAC[5-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]hydrazine
SMILESCOc1ccc(-c2nnc(NN)o2)cc1OCc1ccc(C)cc1
InChIInChI=1S/C17H18N4O3/c1-11-3-5-12(6-4-11)10-23-15-9-13(7-8-14(15)22-2)16-20-21-17(19-18)24-16/h3-9H,10,18H2,1-2H3,(H,19,21)
InChIKeyGOQBKMHHAKQGLZ-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.92
Rot. Bonds6

About [5-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]hydrazine

[5-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]hydrazine (PubChem CID 91681625) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is [5-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]hydrazine
PubChem CID91681625
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name[5-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]hydrazine
SMILESCOc1ccc(-c2nnc(NN)o2)cc1OCc1ccc(C)cc1
InChIInChI=1S/C17H18N4O3/c1-11-3-5-12(6-4-11)10-23-15-9-13(7-8-14(15)22-2)16-20-21-17(19-18)24-16/h3-9H,10,18H2,1-2H3,(H,19,21)
InChIKeyGOQBKMHHAKQGLZ-UHFFFAOYSA-N
XLogP2.92
TPSA95.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681821
5-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91681619
5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91682846
4-methoxy-3-[(4-methylphenyl)methoxy]benzenecarbothioamide
CID 22681441
2-(chloromethyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4-oxadiazole
CID 46944561
3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine
CID 82186047
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
CID 43975922
[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methanamine
CID 68981656
2-[2-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 22682050
5-(4-fluorophenyl)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 83287470
2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 110655620
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 19554615

Frequently Asked Questions

What is the IUPAC name of [5-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]hydrazine?
The IUPAC name of [5-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]hydrazine (CID 91681625) is [5-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]hydrazine?
The canonical SMILES for [5-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]hydrazine is COc1ccc(-c2nnc(NN)o2)cc1OCc1ccc(C)cc1.
What is the InChIKey of [5-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]hydrazine?
The InChIKey is GOQBKMHHAKQGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-11-3-5-12(6-4-11)10-23-15-9-13(7-8-14(15)22-2)16-20-21-17(19-18)24-16/h3-9H,10,18H2,1-2H3,(H,19,21).
What are the key properties of [5-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]hydrazine?
[5-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]hydrazine has a molecular weight of 326.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]hydrazine is sourced from PubChem (CID 91681625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).