3-(5-chloro-7-methyl-1-benzofuran-2-yl)-5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole

C17H17ClN2O4 — CID 154745636

IUPAC3-(5-chloro-7-methyl-1-benzofuran-2-yl)-5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole
SMILESCOC1(c2nc(-c3cc4cc(Cl)cc(C)c4o3)no2)CCOCC1
InChIInChI=1S/C17H17ClN2O4/c1-10-7-12(18)8-11-9-13(23-14(10)11)15-19-16(24-20-15)17(21-2)3-5-22-6-4-17/h7-9H,3-6H2,1-2H3
InChIKeyOXLPXFAGTDPNFT-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.10
Rot. Bonds3

About 3-(5-chloro-7-methyl-1-benzofuran-2-yl)-5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole

3-(5-chloro-7-methyl-1-benzofuran-2-yl)-5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole (PubChem CID 154745636) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is 3-(5-chloro-7-methyl-1-benzofuran-2-yl)-5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-chloro-7-methyl-1-benzofuran-2-yl)-5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole
PubChem CID154745636
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name3-(5-chloro-7-methyl-1-benzofuran-2-yl)-5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole
SMILESCOC1(c2nc(-c3cc4cc(Cl)cc(C)c4o3)no2)CCOCC1
InChIInChI=1S/C17H17ClN2O4/c1-10-7-12(18)8-11-9-13(23-14(10)11)15-19-16(24-20-15)17(21-2)3-5-22-6-4-17/h7-9H,3-6H2,1-2H3
InChIKeyOXLPXFAGTDPNFT-UHFFFAOYSA-N
XLogP4.10
TPSA70.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(5-chloro-7-methyl-1-benzofuran-2-yl)-5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(1-methoxycyclobutyl)-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
CID 139012825
5-(4-methoxyoxan-4-yl)-3-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazole
CID 154870100
3-[4-[5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylaniline
CID 126808405
3-(bromomethyl)-5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole
CID 164649560
3-(2-chlorophenyl)-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 119999951
4,6-dichloro-2-(4-methoxyoxan-4-yl)-5-methylpyrimidine
CID 116745967
5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 126813335
4-[5-(4-aminooxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenol
CID 137011204
2-chloro-5-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116741984
5-[1-(5-chloropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 128973617
5-[1-(methoxymethyl)cyclopropyl]-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
CID 139012823
1-(5-chloro-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426697

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-7-methyl-1-benzofuran-2-yl)-5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-chloro-7-methyl-1-benzofuran-2-yl)-5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole (CID 154745636) is 3-(5-chloro-7-methyl-1-benzofuran-2-yl)-5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-chloro-7-methyl-1-benzofuran-2-yl)-5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-chloro-7-methyl-1-benzofuran-2-yl)-5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole is COC1(c2nc(-c3cc4cc(Cl)cc(C)c4o3)no2)CCOCC1.
What is the InChIKey of 3-(5-chloro-7-methyl-1-benzofuran-2-yl)-5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole?
The InChIKey is OXLPXFAGTDPNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-10-7-12(18)8-11-9-13(23-14(10)11)15-19-16(24-20-15)17(21-2)3-5-22-6-4-17/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-(5-chloro-7-methyl-1-benzofuran-2-yl)-5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole?
3-(5-chloro-7-methyl-1-benzofuran-2-yl)-5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole has a molecular weight of 348.79 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-7-methyl-1-benzofuran-2-yl)-5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 154745636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).