2-(3-benzyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole

C17H19NO2 — CID 14973106

IUPAC2-(3-benzyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1cc(Cc2ccccc2)c(C2=NC(C)(C)CO2)o1
InChIInChI=1S/C17H19NO2/c1-12-9-14(10-13-7-5-4-6-8-13)15(20-12)16-18-17(2,3)11-19-16/h4-9H,10-11H2,1-3H3
InChIKeyAOGRKJUJIDJUOH-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.73
Rot. Bonds3

About 2-(3-benzyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole

2-(3-benzyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 14973106) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(3-benzyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(3-benzyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID14973106
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(3-benzyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1cc(Cc2ccccc2)c(C2=NC(C)(C)CO2)o1
InChIInChI=1S/C17H19NO2/c1-12-9-14(10-13-7-5-4-6-8-13)15(20-12)16-18-17(2,3)11-19-16/h4-9H,10-11H2,1-3H3
InChIKeyAOGRKJUJIDJUOH-UHFFFAOYSA-N
XLogP3.73
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[5-[4-(4,5-Dihydrooxazol-2-yl)phenoxy]pentyl]-2-furyl]ethanone
CID 5273082
2-[4-[7-(4-Methyl-2-furyl)heptoxy]phenyl]-4,5-dihydrooxazole
CID 3007727
(4E)-4-[(2-ethoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 867057
4,4-Dimethyl-2-(5-methylfuran-2-yl)-4,5-dihydro-1,3-oxazole
CID 14931720
4-benzyl-2-(furan-2-yl)-4H-1,3-oxazol-5-one
CID 20540788
Ethyl 5-(3-trifluoromethylphenyl)-2-furimidate hydrochloride
CID 21449087
(4-fluorophenyl)-[2-(3,4,4-trimethyl-5H-1,3-oxazol-3-ium-2-yl)furan-3-yl]methanol
CID 60125574
[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)furan-3-yl]-(4-fluorophenyl)methanol
CID 60125747
[5-(2,4-difluorophenyl)furan-2-yl]methyl (E)-2-ethanimidoyl-3-hydroxybut-2-enoate
CID 144201260
Zbmkfypmshqhgn-uhfffaoysa-
CID 12201390
2-[1-(Benzyloxy)pentyl]-5-methylfuran
CID 10901311
Ethyl 3-hexyl-5-phenylfuran-2-carboxylate
CID 11120128

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(3-benzyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole (CID 14973106) is 2-(3-benzyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(3-benzyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(3-benzyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole is Cc1cc(Cc2ccccc2)c(C2=NC(C)(C)CO2)o1.
What is the InChIKey of 2-(3-benzyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is AOGRKJUJIDJUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-9-14(10-13-7-5-4-6-8-13)15(20-12)16-18-17(2,3)11-19-16/h4-9H,10-11H2,1-3H3.
What are the key properties of 2-(3-benzyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole?
2-(3-benzyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 269.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-5-methylfuran-2-yl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 14973106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).