3-methyl-5-(5-methylfuran-2-yl)-1,2-oxazole

C9H9NO2 — CID 116868998

IUPAC3-methyl-5-(5-methylfuran-2-yl)-1,2-oxazole
SMILESCc1cc(-c2ccc(C)o2)on1
InChIInChI=1S/C9H9NO2/c1-6-5-9(12-10-6)8-4-3-7(2)11-8/h3-5H,1-2H3
InChIKeyYTGZCWFKHILKPH-UHFFFAOYSA-N
MW163.18 g/mol
LogP2.55
Rot. Bonds1

About 3-methyl-5-(5-methylfuran-2-yl)-1,2-oxazole

3-methyl-5-(5-methylfuran-2-yl)-1,2-oxazole (PubChem CID 116868998) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-methyl-5-(5-methylfuran-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(5-methylfuran-2-yl)-1,2-oxazole
PubChem CID116868998
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name3-methyl-5-(5-methylfuran-2-yl)-1,2-oxazole
SMILESCc1cc(-c2ccc(C)o2)on1
InChIInChI=1S/C9H9NO2/c1-6-5-9(12-10-6)8-4-3-7(2)11-8/h3-5H,1-2H3
InChIKeyYTGZCWFKHILKPH-UHFFFAOYSA-N
XLogP2.55
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 5-(2-furyl)-3-methyl-4-isoxazolecarboxylate
CID 2818509
5-[(Dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxylic acid
CID 3161034
(5-(Furan-2-yl)isoxazol-3-yl)methyl 2-(2-methoxyphenoxy)acetate
CID 8296385
5-(5-Methylfuran-2-yl)-1,2-oxazole-3-carboxylic acid
CID 17571598
[5-(Furan-2-yl)-1,2-oxazol-3-yl]methyl 2-phenoxyacetate
CID 9018308
[5-(Furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(4-acetylphenoxy)acetate
CID 8806357
2-(5-(Furan-2-yl)-1,2-oxazol-3-yl)acetic acid
CID 28808515
3-(Chloromethyl)-5-(furan-2-yl)-1,2-oxazole
CID 4962799
(5-(Furan-2-yl)-1,2-oxazol-3-yl)methanol
CID 7164591
4-[[5-(Furan-2-yl)-1,2-oxazol-3-yl]methyl]morpholine
CID 40054260
4-[[5-(Furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,6-dimethylmorpholine
CID 42919545
Ethyl 5-(2-furyl)isoxazole-3-carboxylate
CID 7127810

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(5-methylfuran-2-yl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(5-methylfuran-2-yl)-1,2-oxazole (CID 116868998) is 3-methyl-5-(5-methylfuran-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(5-methylfuran-2-yl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(5-methylfuran-2-yl)-1,2-oxazole is Cc1cc(-c2ccc(C)o2)on1.
What is the InChIKey of 3-methyl-5-(5-methylfuran-2-yl)-1,2-oxazole?
The InChIKey is YTGZCWFKHILKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-6-5-9(12-10-6)8-4-3-7(2)11-8/h3-5H,1-2H3.
What are the key properties of 3-methyl-5-(5-methylfuran-2-yl)-1,2-oxazole?
3-methyl-5-(5-methylfuran-2-yl)-1,2-oxazole has a molecular weight of 163.18 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(5-methylfuran-2-yl)-1,2-oxazole is sourced from PubChem (CID 116868998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).