5-[1-(3,5-dimethylfuran-2-yl)-5-(5-ethyl-4-methylfuran-3-yl)pentan-3-yl]-4-methyl-1,2-oxazole

C22H29NO3 — CID 155036150

IUPAC5-[1-(3,5-dimethylfuran-2-yl)-5-(5-ethyl-4-methylfuran-3-yl)pentan-3-yl]-4-methyl-1,2-oxazole
SMILESCCc1occ(CCC(CCc2oc(C)cc2C)c2oncc2C)c1C
InChIInChI=1S/C22H29NO3/c1-6-20-17(5)19(13-24-20)8-7-18(22-15(3)12-23-26-22)9-10-21-14(2)11-16(4)25-21/h11-13,18H,6-10H2,1-5H3
InChIKeyXEVVZUYLASCZFN-UHFFFAOYSA-N
MW355.48 g/mol
LogP6.01
Rot. Bonds8

About 5-[1-(3,5-dimethylfuran-2-yl)-5-(5-ethyl-4-methylfuran-3-yl)pentan-3-yl]-4-methyl-1,2-oxazole

5-[1-(3,5-dimethylfuran-2-yl)-5-(5-ethyl-4-methylfuran-3-yl)pentan-3-yl]-4-methyl-1,2-oxazole (PubChem CID 155036150) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 5-[1-(3,5-dimethylfuran-2-yl)-5-(5-ethyl-4-methylfuran-3-yl)pentan-3-yl]-4-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[1-(3,5-dimethylfuran-2-yl)-5-(5-ethyl-4-methylfuran-3-yl)pentan-3-yl]-4-methyl-1,2-oxazole
PubChem CID155036150
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name5-[1-(3,5-dimethylfuran-2-yl)-5-(5-ethyl-4-methylfuran-3-yl)pentan-3-yl]-4-methyl-1,2-oxazole
SMILESCCc1occ(CCC(CCc2oc(C)cc2C)c2oncc2C)c1C
InChIInChI=1S/C22H29NO3/c1-6-20-17(5)19(13-24-20)8-7-18(22-15(3)12-23-26-22)9-10-21-14(2)11-16(4)25-21/h11-13,18H,6-10H2,1-5H3
InChIKeyXEVVZUYLASCZFN-UHFFFAOYSA-N
XLogP6.01
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dimethylfuran-2-yl)-5-(5-ethyl-4-methylfuran-3-yl)pentan-3-yl]-4-methyl-1,2-oxazole?
The IUPAC name of 5-[1-(3,5-dimethylfuran-2-yl)-5-(5-ethyl-4-methylfuran-3-yl)pentan-3-yl]-4-methyl-1,2-oxazole (CID 155036150) is 5-[1-(3,5-dimethylfuran-2-yl)-5-(5-ethyl-4-methylfuran-3-yl)pentan-3-yl]-4-methyl-1,2-oxazole.
What is the SMILES notation for 5-[1-(3,5-dimethylfuran-2-yl)-5-(5-ethyl-4-methylfuran-3-yl)pentan-3-yl]-4-methyl-1,2-oxazole?
The canonical SMILES for 5-[1-(3,5-dimethylfuran-2-yl)-5-(5-ethyl-4-methylfuran-3-yl)pentan-3-yl]-4-methyl-1,2-oxazole is CCc1occ(CCC(CCc2oc(C)cc2C)c2oncc2C)c1C.
What is the InChIKey of 5-[1-(3,5-dimethylfuran-2-yl)-5-(5-ethyl-4-methylfuran-3-yl)pentan-3-yl]-4-methyl-1,2-oxazole?
The InChIKey is XEVVZUYLASCZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-6-20-17(5)19(13-24-20)8-7-18(22-15(3)12-23-26-22)9-10-21-14(2)11-16(4)25-21/h11-13,18H,6-10H2,1-5H3.
What are the key properties of 5-[1-(3,5-dimethylfuran-2-yl)-5-(5-ethyl-4-methylfuran-3-yl)pentan-3-yl]-4-methyl-1,2-oxazole?
5-[1-(3,5-dimethylfuran-2-yl)-5-(5-ethyl-4-methylfuran-3-yl)pentan-3-yl]-4-methyl-1,2-oxazole has a molecular weight of 355.48 g/mol, XLogP of 6.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-dimethylfuran-2-yl)-5-(5-ethyl-4-methylfuran-3-yl)pentan-3-yl]-4-methyl-1,2-oxazole is sourced from PubChem (CID 155036150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).