4-(methoxymethyl)-2,3-dihydrofuro[2,3-e][1,2]benzoxazol-8-amine

C11H12N2O3 — CID 168942394

IUPAC4-(methoxymethyl)-2,3-dihydrofuro[2,3-e][1,2]benzoxazol-8-amine
SMILESCOCc1cc2onc(N)c2c2c1CCO2
InChIInChI=1S/C11H12N2O3/c1-14-5-6-4-8-9(11(12)13-16-8)10-7(6)2-3-15-10/h4H,2-3,5H2,1H3,(H2,12,13)
InChIKeyYAKWWJGUDWNHAG-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.49
Rot. Bonds2

About 4-(methoxymethyl)-2,3-dihydrofuro[2,3-e][1,2]benzoxazol-8-amine

4-(methoxymethyl)-2,3-dihydrofuro[2,3-e][1,2]benzoxazol-8-amine (PubChem CID 168942394) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-(methoxymethyl)-2,3-dihydrofuro[2,3-e][1,2]benzoxazol-8-amine.

Molecular Properties

Compound Name4-(methoxymethyl)-2,3-dihydrofuro[2,3-e][1,2]benzoxazol-8-amine
PubChem CID168942394
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name4-(methoxymethyl)-2,3-dihydrofuro[2,3-e][1,2]benzoxazol-8-amine
SMILESCOCc1cc2onc(N)c2c2c1CCO2
InChIInChI=1S/C11H12N2O3/c1-14-5-6-4-8-9(11(12)13-16-8)10-7(6)2-3-15-10/h4H,2-3,5H2,1H3,(H2,12,13)
InChIKeyYAKWWJGUDWNHAG-UHFFFAOYSA-N
XLogP1.49
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2,3-dihydrofuro[2,3-e][1,2]benzoxazol-8-amine?
The IUPAC name of 4-(methoxymethyl)-2,3-dihydrofuro[2,3-e][1,2]benzoxazol-8-amine (CID 168942394) is 4-(methoxymethyl)-2,3-dihydrofuro[2,3-e][1,2]benzoxazol-8-amine.
What is the SMILES notation for 4-(methoxymethyl)-2,3-dihydrofuro[2,3-e][1,2]benzoxazol-8-amine?
The canonical SMILES for 4-(methoxymethyl)-2,3-dihydrofuro[2,3-e][1,2]benzoxazol-8-amine is COCc1cc2onc(N)c2c2c1CCO2.
What is the InChIKey of 4-(methoxymethyl)-2,3-dihydrofuro[2,3-e][1,2]benzoxazol-8-amine?
The InChIKey is YAKWWJGUDWNHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-14-5-6-4-8-9(11(12)13-16-8)10-7(6)2-3-15-10/h4H,2-3,5H2,1H3,(H2,12,13).
What are the key properties of 4-(methoxymethyl)-2,3-dihydrofuro[2,3-e][1,2]benzoxazol-8-amine?
4-(methoxymethyl)-2,3-dihydrofuro[2,3-e][1,2]benzoxazol-8-amine has a molecular weight of 220.23 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2,3-dihydrofuro[2,3-e][1,2]benzoxazol-8-amine is sourced from PubChem (CID 168942394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).