5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole

C20H15ClN2O3 — CID 19324535

IUPAC5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1cccc(Cl)c1OCc1ccc(-c2nc(-c3ccccc3)no2)o1
InChIInChI=1S/C20H15ClN2O3/c1-13-6-5-9-16(21)18(13)24-12-15-10-11-17(25-15)20-22-19(23-26-20)14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChIKeyVTEBRECFAMKUJJ-UHFFFAOYSA-N
MW366.80 g/mol
LogP5.54
Rot. Bonds5

About 5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole

5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 19324535) has the molecular formula C20H15ClN2O3 and a molecular weight of 366.80 g/mol. Its IUPAC name is 5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID19324535
Molecular FormulaC20H15ClN2O3
Molecular Weight366.80 g/mol
Exact Mass366.08
IUPAC Name5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1cccc(Cl)c1OCc1ccc(-c2nc(-c3ccccc3)no2)o1
InChIInChI=1S/C20H15ClN2O3/c1-13-6-5-9-16(21)18(13)24-12-15-10-11-17(25-15)20-22-19(23-26-20)14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChIKeyVTEBRECFAMKUJJ-UHFFFAOYSA-N
XLogP5.54
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.80
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19332929
5-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 19324415
3-(4-fluorophenyl)-5-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19326321
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-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,2,4-oxadiazole
CID 19324674
5-[5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 46329447
3-(4-fluorophenyl)-5-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,2,4-oxadiazole
CID 19326221
3-[(2,6-dichlorophenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 78848420
1-chloro-3-methyl-2-phenylmethoxybenzene
CID 71366901
5-[4-[(2,6-dimethylphenoxy)methyl]phenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326357
5-[5-[(3-methoxyphenoxy)methyl]furan-2-yl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 19330771
5-[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326589

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole (CID 19324535) is 5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole is Cc1cccc(Cl)c1OCc1ccc(-c2nc(-c3ccccc3)no2)o1.
What is the InChIKey of 5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is VTEBRECFAMKUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3/c1-13-6-5-9-16(21)18(13)24-12-15-10-11-17(25-15)20-22-19(23-26-20)14-7-3-2-4-8-14/h2-11H,12H2,1H3.
What are the key properties of 5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole?
5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 366.80 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 19324535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).