1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-methylfuran-2-carboxylate

C17H16N2O5 — CID 18283702

IUPAC1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-methylfuran-2-carboxylate
SMILESCOc1ccc(-c2nnc(C(C)OC(=O)c3occc3C)o2)cc1
InChIInChI=1S/C17H16N2O5/c1-10-8-9-22-14(10)17(20)23-11(2)15-18-19-16(24-15)12-4-6-13(21-3)7-5-12/h4-9,11H,1-3H3
InChIKeyDGUXIOOVKIXRKQ-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.56
Rot. Bonds5

About 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-methylfuran-2-carboxylate

1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-methylfuran-2-carboxylate (PubChem CID 18283702) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-methylfuran-2-carboxylate.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-methylfuran-2-carboxylate
PubChem CID18283702
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-methylfuran-2-carboxylate
SMILESCOc1ccc(-c2nnc(C(C)OC(=O)c3occc3C)o2)cc1
InChIInChI=1S/C17H16N2O5/c1-10-8-9-22-14(10)17(20)23-11(2)15-18-19-16(24-15)12-4-6-13(21-3)7-5-12/h4-9,11H,1-3H3
InChIKeyDGUXIOOVKIXRKQ-UHFFFAOYSA-N
XLogP3.56
TPSA87.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-methylbenzoate
CID 9202539
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 18202457
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3,4-dimethylbenzoate
CID 9290691
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8644708
[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8644714
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-fluoro-4-methoxybenzoate
CID 55393598
[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-fluoro-4-methoxybenzoate
CID 8837639
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-methylsulfanylbenzoate
CID 18202659
[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-(hydroxymethyl)benzoate
CID 8845492
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 18207076
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-acetamido-3-methylbenzoate
CID 30603830
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 16575963

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-methylfuran-2-carboxylate?
The IUPAC name of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-methylfuran-2-carboxylate (CID 18283702) is 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-methylfuran-2-carboxylate.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-methylfuran-2-carboxylate?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-methylfuran-2-carboxylate is COc1ccc(-c2nnc(C(C)OC(=O)c3occc3C)o2)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-methylfuran-2-carboxylate?
The InChIKey is DGUXIOOVKIXRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-10-8-9-22-14(10)17(20)23-11(2)15-18-19-16(24-15)12-4-6-13(21-3)7-5-12/h4-9,11H,1-3H3.
What are the key properties of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-methylfuran-2-carboxylate?
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-methylfuran-2-carboxylate has a molecular weight of 328.32 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-methylfuran-2-carboxylate is sourced from PubChem (CID 18283702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).