2-[4-(3-methoxy-1,2-oxazol-5-yl)-2-methylfuran-3-yl]acetic acid

C11H11NO5 — CID 96594050

IUPAC2-[4-(3-methoxy-1,2-oxazol-5-yl)-2-methylfuran-3-yl]acetic acid
SMILESCOc1cc(-c2coc(C)c2CC(=O)O)on1
InChIInChI=1S/C11H11NO5/c1-6-7(3-11(13)14)8(5-16-6)9-4-10(15-2)12-17-9/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyBRAITNBUFKVVOT-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.88
Rot. Bonds4

About 2-[4-(3-methoxy-1,2-oxazol-5-yl)-2-methylfuran-3-yl]acetic acid

2-[4-(3-methoxy-1,2-oxazol-5-yl)-2-methylfuran-3-yl]acetic acid (PubChem CID 96594050) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 2-[4-(3-methoxy-1,2-oxazol-5-yl)-2-methylfuran-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-methoxy-1,2-oxazol-5-yl)-2-methylfuran-3-yl]acetic acid
PubChem CID96594050
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name2-[4-(3-methoxy-1,2-oxazol-5-yl)-2-methylfuran-3-yl]acetic acid
SMILESCOc1cc(-c2coc(C)c2CC(=O)O)on1
InChIInChI=1S/C11H11NO5/c1-6-7(3-11(13)14)8(5-16-6)9-4-10(15-2)12-17-9/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyBRAITNBUFKVVOT-UHFFFAOYSA-N
XLogP1.88
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxy-1,2-oxazol-5-yl)-2-methylfuran-3-yl]acetic acid?
The IUPAC name of 2-[4-(3-methoxy-1,2-oxazol-5-yl)-2-methylfuran-3-yl]acetic acid (CID 96594050) is 2-[4-(3-methoxy-1,2-oxazol-5-yl)-2-methylfuran-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-methoxy-1,2-oxazol-5-yl)-2-methylfuran-3-yl]acetic acid?
The canonical SMILES for 2-[4-(3-methoxy-1,2-oxazol-5-yl)-2-methylfuran-3-yl]acetic acid is COc1cc(-c2coc(C)c2CC(=O)O)on1.
What is the InChIKey of 2-[4-(3-methoxy-1,2-oxazol-5-yl)-2-methylfuran-3-yl]acetic acid?
The InChIKey is BRAITNBUFKVVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c1-6-7(3-11(13)14)8(5-16-6)9-4-10(15-2)12-17-9/h4-5H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-[4-(3-methoxy-1,2-oxazol-5-yl)-2-methylfuran-3-yl]acetic acid?
2-[4-(3-methoxy-1,2-oxazol-5-yl)-2-methylfuran-3-yl]acetic acid has a molecular weight of 237.21 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxy-1,2-oxazol-5-yl)-2-methylfuran-3-yl]acetic acid is sourced from PubChem (CID 96594050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).