5-[3-[(2,4-difluorophenoxy)methyl]phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C19H12F2N2O2S — CID 19334502

IUPAC5-[3-[(2,4-difluorophenoxy)methyl]phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESFc1ccc(OCc2cccc(-c3nc(-c4cccs4)no3)c2)c(F)c1
InChIInChI=1S/C19H12F2N2O2S/c20-14-6-7-16(15(21)10-14)24-11-12-3-1-4-13(9-12)19-22-18(23-25-19)17-5-2-8-26-17/h1-10H,11H2
InChIKeyQMMNATFQPABIOR-UHFFFAOYSA-N
MW370.38 g/mol
LogP5.32
Rot. Bonds5

About 5-[3-[(2,4-difluorophenoxy)methyl]phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[3-[(2,4-difluorophenoxy)methyl]phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 19334502) has the molecular formula C19H12F2N2O2S and a molecular weight of 370.38 g/mol. Its IUPAC name is 5-[3-[(2,4-difluorophenoxy)methyl]phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-[(2,4-difluorophenoxy)methyl]phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID19334502
Molecular FormulaC19H12F2N2O2S
Molecular Weight370.38 g/mol
Exact Mass370.06
IUPAC Name5-[3-[(2,4-difluorophenoxy)methyl]phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESFc1ccc(OCc2cccc(-c3nc(-c4cccs4)no3)c2)c(F)c1
InChIInChI=1S/C19H12F2N2O2S/c20-14-6-7-16(15(21)10-14)24-11-12-3-1-4-13(9-12)19-22-18(23-25-19)17-5-2-8-26-17/h1-10H,11H2
InChIKeyQMMNATFQPABIOR-UHFFFAOYSA-N
XLogP5.32
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.38
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[3-[(2,4-difluorophenoxy)methyl]phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole 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

5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19334480
5-[(2-chloro-4-fluorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9138008
3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 42851489
5-[6-(2-fluorophenoxy)-3-pyridinyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 167938082
1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene
CID 60731007
5-[3-[(3-bromophenoxy)methyl]phenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326225
5-[(2-bromo-4-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 8533692
5-[(2-bromophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 18775782
5-(4-chlorophenyl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 42851419
5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326649
3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 136967849
5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine
CID 107811588

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2,4-difluorophenoxy)methyl]phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-[(2,4-difluorophenoxy)methyl]phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 19334502) is 5-[3-[(2,4-difluorophenoxy)methyl]phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-[(2,4-difluorophenoxy)methyl]phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-[(2,4-difluorophenoxy)methyl]phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole is Fc1ccc(OCc2cccc(-c3nc(-c4cccs4)no3)c2)c(F)c1.
What is the InChIKey of 5-[3-[(2,4-difluorophenoxy)methyl]phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is QMMNATFQPABIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N2O2S/c20-14-6-7-16(15(21)10-14)24-11-12-3-1-4-13(9-12)19-22-18(23-25-19)17-5-2-8-26-17/h1-10H,11H2.
What are the key properties of 5-[3-[(2,4-difluorophenoxy)methyl]phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[3-[(2,4-difluorophenoxy)methyl]phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 370.38 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2,4-difluorophenoxy)methyl]phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 19334502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).