2-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid

C13H15NO4 — CID 114374677

IUPAC2-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
SMILESCc1occc1-c1nc(CC(C)C)c(C(=O)O)o1
InChIInChI=1S/C13H15NO4/c1-7(2)6-10-11(13(15)16)18-12(14-10)9-4-5-17-8(9)3/h4-5,7H,6H2,1-3H3,(H,15,16)
InChIKeyOIEPMHROQBNICW-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.14
Rot. Bonds4

About 2-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid

2-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 114374677) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
PubChem CID114374677
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name2-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
SMILESCc1occc1-c1nc(CC(C)C)c(C(=O)O)o1
InChIInChI=1S/C13H15NO4/c1-7(2)6-10-11(13(15)16)18-12(14-10)9-4-5-17-8(9)3/h4-5,7H,6H2,1-3H3,(H,15,16)
InChIKeyOIEPMHROQBNICW-UHFFFAOYSA-N
XLogP3.14
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
CID 114374746
4-tert-butyl-2-(2-methylfuran-3-yl)-1,3-oxazole-5-carboxylic acid
CID 114372893
4-(2-methylpropyl)-2-(5-nitrofuran-2-yl)-1,3-oxazole-5-carboxylic acid
CID 114374662
ethyl 2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
CID 114372592
2-tert-butyl-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
CID 114374559
2-(2,5-dimethylfuran-3-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842341
3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 60908048
2-(1-methoxyethyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
CID 114374798
2-(2-methylfuran-3-yl)-1,3-benzoxazole-5-carboxylic acid
CID 81357944
4-(2-methylpropyl)-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid
CID 114374651
4-ethyl-2-(2-fluoro-4-methylphenyl)-1,3-oxazole-5-carboxylic acid
CID 104842478
4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid
CID 104842342

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid (CID 114374677) is 2-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid is Cc1occc1-c1nc(CC(C)C)c(C(=O)O)o1.
What is the InChIKey of 2-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is OIEPMHROQBNICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-7(2)6-10-11(13(15)16)18-12(14-10)9-4-5-17-8(9)3/h4-5,7H,6H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid?
2-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114374677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).