ethane;4-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N'-methylbenzenecarboximidamide

C20H26N4O2 — CID 143438333

IUPACethane;4-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1ccc(-c2nc(-c3ccc(O)cc3)no2)cc1.CC.CC
InChIInChI=1S/C16H14N4O2.2C2H6/c1-18-14(17)10-2-4-12(5-3-10)16-19-15(20-22-16)11-6-8-13(21)9-7-11;2*1-2/h2-9,21H,1H3,(H2,17,18);2*1-2H3
InChIKeyGHOFPUJMGKSCBP-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.50
Rot. Bonds3

About ethane;4-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N'-methylbenzenecarboximidamide

ethane;4-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N'-methylbenzenecarboximidamide (PubChem CID 143438333) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is ethane;4-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound Nameethane;4-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N'-methylbenzenecarboximidamide
PubChem CID143438333
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Nameethane;4-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1ccc(-c2nc(-c3ccc(O)cc3)no2)cc1.CC.CC
InChIInChI=1S/C16H14N4O2.2C2H6/c1-18-14(17)10-2-4-12(5-3-10)16-19-15(20-22-16)11-6-8-13(21)9-7-11;2*1-2/h2-9,21H,1H3,(H2,17,18);2*1-2H3
InChIKeyGHOFPUJMGKSCBP-UHFFFAOYSA-N
XLogP4.50
TPSA97.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethane;4-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N'-methylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
4-hydroxy-N'-methylbenzenecarboximidamide
CID 135965183
4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 3692407
4-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 135966775
4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;hydrochloride
CID 155538089
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 798302
4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 136673921
4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809735
4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenol
CID 135981395
4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135912791
4-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol
CID 136889344
4-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136716235

Frequently Asked Questions

What is the IUPAC name of ethane;4-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N'-methylbenzenecarboximidamide?
The IUPAC name of ethane;4-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N'-methylbenzenecarboximidamide (CID 143438333) is ethane;4-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N'-methylbenzenecarboximidamide.
What is the SMILES notation for ethane;4-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N'-methylbenzenecarboximidamide?
The canonical SMILES for ethane;4-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N'-methylbenzenecarboximidamide is C/N=C(\N)c1ccc(-c2nc(-c3ccc(O)cc3)no2)cc1.CC.CC.
What is the InChIKey of ethane;4-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N'-methylbenzenecarboximidamide?
The InChIKey is GHOFPUJMGKSCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2.2C2H6/c1-18-14(17)10-2-4-12(5-3-10)16-19-15(20-22-16)11-6-8-13(21)9-7-11;2*1-2/h2-9,21H,1H3,(H2,17,18);2*1-2H3.
What are the key properties of ethane;4-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N'-methylbenzenecarboximidamide?
ethane;4-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N'-methylbenzenecarboximidamide has a molecular weight of 354.45 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 143438333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).