2-methoxy-5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol

C13H16N2O3S — CID 79733050

IUPAC2-methoxy-5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCCCSCc1noc(-c2ccc(OC)c(O)c2)n1
InChIInChI=1S/C13H16N2O3S/c1-3-6-19-8-12-14-13(18-15-12)9-4-5-11(17-2)10(16)7-9/h4-5,7,16H,3,6,8H2,1-2H3
InChIKeyFKMIZRCMIGDUCL-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.09
Rot. Bonds6

About 2-methoxy-5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol

2-methoxy-5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 79733050) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-methoxy-5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID79733050
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name2-methoxy-5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCCCSCc1noc(-c2ccc(OC)c(O)c2)n1
InChIInChI=1S/C13H16N2O3S/c1-3-6-19-8-12-14-13(18-15-12)9-4-5-11(17-2)10(16)7-9/h4-5,7,16H,3,6,8H2,1-2H3
InChIKeyFKMIZRCMIGDUCL-UHFFFAOYSA-N
XLogP3.09
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methoxy-5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol 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

2-methoxy-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 79732855
5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole
CID 768428
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol
CID 79732954
2-methoxy-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82008572
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol
CID 79732351
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136745795
2-methyl-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63846099
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol
CID 136904389
3-[(5-chloro-2-methoxyphenyl)methylsulfanylmethyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 60542116
5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 79733049
5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 79735633
2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]ethanamine
CID 43249368

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-methoxy-5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol (CID 79733050) is 2-methoxy-5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-methoxy-5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol is CCCSCc1noc(-c2ccc(OC)c(O)c2)n1.
What is the InChIKey of 2-methoxy-5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is FKMIZRCMIGDUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-3-6-19-8-12-14-13(18-15-12)9-4-5-11(17-2)10(16)7-9/h4-5,7,16H,3,6,8H2,1-2H3.
What are the key properties of 2-methoxy-5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol?
2-methoxy-5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 280.35 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 79733050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).