3-(4-fluorophenyl)-5-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole

C20H15FN2O3 — CID 19326321

IUPAC3-(4-fluorophenyl)-5-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
SMILESCc1ccccc1OCc1ccc(-c2nc(-c3ccc(F)cc3)no2)o1
InChIInChI=1S/C20H15FN2O3/c1-13-4-2-3-5-17(13)24-12-16-10-11-18(25-16)20-22-19(23-26-20)14-6-8-15(21)9-7-14/h2-11H,12H2,1H3
InChIKeyPRTAMWFUTNMGQC-UHFFFAOYSA-N
MW350.35 g/mol
LogP5.02
Rot. Bonds5

About 3-(4-fluorophenyl)-5-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole

3-(4-fluorophenyl)-5-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole (PubChem CID 19326321) has the molecular formula C20H15FN2O3 and a molecular weight of 350.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
PubChem CID19326321
Molecular FormulaC20H15FN2O3
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC Name3-(4-fluorophenyl)-5-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
SMILESCc1ccccc1OCc1ccc(-c2nc(-c3ccc(F)cc3)no2)o1
InChIInChI=1S/C20H15FN2O3/c1-13-4-2-3-5-17(13)24-12-16-10-11-18(25-16)20-22-19(23-26-20)14-6-8-15(21)9-7-14/h2-11H,12H2,1H3
InChIKeyPRTAMWFUTNMGQC-UHFFFAOYSA-N
XLogP5.02
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.35
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,2,4-oxadiazole
CID 19324674
3-(4-fluorophenyl)-5-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,2,4-oxadiazole
CID 19326221
5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 19324535
1-[4-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methoxy]phenyl]ethanone
CID 19326322
2-[4-[5-[5-[(2,6-dimethylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328575
3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 817382
5-[4-[(2,6-dimethylphenoxy)methyl]phenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326357
N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]methanesulfonamide
CID 71973851
5-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 19324415
5-[5-[(3-methoxyphenoxy)methyl]furan-2-yl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 19330771
3-(4-methylphenyl)-5-[5-[(2-methylphenyl)methylsulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole
CID 53077147
5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
CID 46266130

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole (CID 19326321) is 3-(4-fluorophenyl)-5-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole is Cc1ccccc1OCc1ccc(-c2nc(-c3ccc(F)cc3)no2)o1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole?
The InChIKey is PRTAMWFUTNMGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3/c1-13-4-2-3-5-17(13)24-12-16-10-11-18(25-16)20-22-19(23-26-20)14-6-8-15(21)9-7-14/h2-11H,12H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole?
3-(4-fluorophenyl)-5-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole has a molecular weight of 350.35 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 19326321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).