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

C10H13NO2 — CID 14931720

IUPAC4,4-dimethyl-2-(5-methylfuran-2-yl)-5H-1,3-oxazole
SMILESCc1ccc(C2=NC(C)(C)CO2)o1
InChIInChI=1S/C10H13NO2/c1-7-4-5-8(13-7)9-11-10(2,3)6-12-9/h4-5H,6H2,1-3H3
InChIKeyQLSDHNWBPCFJON-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.14
Rot. Bonds1

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

4,4-dimethyl-2-(5-methylfuran-2-yl)-5H-1,3-oxazole (PubChem CID 14931720) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4,4-dimethyl-2-(5-methylfuran-2-yl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-(5-methylfuran-2-yl)-5H-1,3-oxazole
PubChem CID14931720
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4,4-dimethyl-2-(5-methylfuran-2-yl)-5H-1,3-oxazole
SMILESCc1ccc(C2=NC(C)(C)CO2)o1
InChIInChI=1S/C10H13NO2/c1-7-4-5-8(13-7)9-11-10(2,3)6-12-9/h4-5H,6H2,1-3H3
InChIKeyQLSDHNWBPCFJON-UHFFFAOYSA-N
XLogP2.14
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-2-(5-methylfuran-2-yl)-5H-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-(2-furanyl)ethenyl)-
CID 6445995
2-(2-Furyl)-2-oxazoline
CID 11332502
2,5-Bis(methoxymethyl)furan
CID 12660774
4-(Ethoxymethylene)-2-(2-furanyl)-5(4H)-oxazolone
CID 133509
2-Furyl-4-ethoxymethylene-5-oxazolone
CID 3036175
5-(Fluoromethyl)-2-(furan-2-yl)-4,5-dihydro-1,3-oxazole
CID 138964472
2-Furancarboximidic acid ethyl ester
CID 12231039
methyl N-methylfuran-2-carboximidate
CID 14932918
2-(5-Bromofuran-2-yl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 54551428
Oxazole, 2-(2-furanyl)-4,5-dihydro-4,4-dimethyl-
CID 3849090
Methyl furan-2-carboximidate
CID 13114963
2-(Ethenoxymethyl)-5-methylfuran
CID 18533724

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(5-methylfuran-2-yl)-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-(5-methylfuran-2-yl)-5H-1,3-oxazole (CID 14931720) is 4,4-dimethyl-2-(5-methylfuran-2-yl)-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-(5-methylfuran-2-yl)-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-(5-methylfuran-2-yl)-5H-1,3-oxazole is Cc1ccc(C2=NC(C)(C)CO2)o1.
What is the InChIKey of 4,4-dimethyl-2-(5-methylfuran-2-yl)-5H-1,3-oxazole?
The InChIKey is QLSDHNWBPCFJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-4-5-8(13-7)9-11-10(2,3)6-12-9/h4-5H,6H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-(5-methylfuran-2-yl)-5H-1,3-oxazole?
4,4-dimethyl-2-(5-methylfuran-2-yl)-5H-1,3-oxazole has a molecular weight of 179.22 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(5-methylfuran-2-yl)-5H-1,3-oxazole is sourced from PubChem (CID 14931720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).