4-chloro-N'-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzenecarboximidamide

C17H15ClN4O3 — CID 24608900

IUPAC4-chloro-N'-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzenecarboximidamide
SMILESCOc1ccc(-c2nnc(CO/N=C(\N)c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C17H15ClN4O3/c1-23-14-8-4-12(5-9-14)17-21-20-15(25-17)10-24-22-16(19)11-2-6-13(18)7-3-11/h2-9H,10H2,1H3,(H2,19,22)
InChIKeyMJLABDSRSGEAEB-UHFFFAOYSA-N
MW358.79 g/mol
LogP3.24
Rot. Bonds6

About 4-chloro-N'-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzenecarboximidamide

4-chloro-N'-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzenecarboximidamide (PubChem CID 24608900) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is 4-chloro-N'-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzenecarboximidamide
PubChem CID24608900
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC Name4-chloro-N'-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzenecarboximidamide
SMILESCOc1ccc(-c2nnc(CO/N=C(\N)c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C17H15ClN4O3/c1-23-14-8-4-12(5-9-14)17-21-20-15(25-17)10-24-22-16(19)11-2-6-13(18)7-3-11/h2-9H,10H2,1H3,(H2,19,22)
InChIKeyMJLABDSRSGEAEB-UHFFFAOYSA-N
XLogP3.24
TPSA95.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate
CID 7861717
N'-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]-4-chlorobenzenecarboximidamide
CID 43013401
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxyimino]propanedinitrile
CID 155067944
2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 67274190
4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
CID 26051370
2-(4-chlorophenyl)-5-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 27920170
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,4-dimethoxybenzoate
CID 8010721
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanol
CID 3041371
(E)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine
CID 16605634
2-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110320118
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(2-methylpropoxy)benzoate
CID 7194175
2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43513285

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzenecarboximidamide?
The IUPAC name of 4-chloro-N'-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzenecarboximidamide (CID 24608900) is 4-chloro-N'-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzenecarboximidamide is COc1ccc(-c2nnc(CO/N=C(\N)c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 4-chloro-N'-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzenecarboximidamide?
The InChIKey is MJLABDSRSGEAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c1-23-14-8-4-12(5-9-14)17-21-20-15(25-17)10-24-22-16(19)11-2-6-13(18)7-3-11/h2-9H,10H2,1H3,(H2,19,22).
What are the key properties of 4-chloro-N'-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzenecarboximidamide?
4-chloro-N'-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzenecarboximidamide has a molecular weight of 358.79 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzenecarboximidamide is sourced from PubChem (CID 24608900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).