[2-(3-methylfuran-2-yl)-1,3-oxazol-4-yl]methanamine

C9H10N2O2 — CID 65288641

IUPAC[2-(3-methylfuran-2-yl)-1,3-oxazol-4-yl]methanamine
SMILESCc1ccoc1-c1nc(CN)co1
InChIInChI=1S/C9H10N2O2/c1-6-2-3-12-8(6)9-11-7(4-10)5-13-9/h2-3,5H,4,10H2,1H3
InChIKeyLZIONNLJAUFJDT-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.70
Rot. Bonds2

About [2-(3-methylfuran-2-yl)-1,3-oxazol-4-yl]methanamine

[2-(3-methylfuran-2-yl)-1,3-oxazol-4-yl]methanamine (PubChem CID 65288641) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is [2-(3-methylfuran-2-yl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methylfuran-2-yl)-1,3-oxazol-4-yl]methanamine
PubChem CID65288641
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name[2-(3-methylfuran-2-yl)-1,3-oxazol-4-yl]methanamine
SMILESCc1ccoc1-c1nc(CN)co1
InChIInChI=1S/C9H10N2O2/c1-6-2-3-12-8(6)9-11-7(4-10)5-13-9/h2-3,5H,4,10H2,1H3
InChIKeyLZIONNLJAUFJDT-UHFFFAOYSA-N
XLogP1.70
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylfuran-2-yl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [2-(3-methylfuran-2-yl)-1,3-oxazol-4-yl]methanamine (CID 65288641) is [2-(3-methylfuran-2-yl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [2-(3-methylfuran-2-yl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [2-(3-methylfuran-2-yl)-1,3-oxazol-4-yl]methanamine is Cc1ccoc1-c1nc(CN)co1.
What is the InChIKey of [2-(3-methylfuran-2-yl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is LZIONNLJAUFJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6-2-3-12-8(6)9-11-7(4-10)5-13-9/h2-3,5H,4,10H2,1H3.
What are the key properties of [2-(3-methylfuran-2-yl)-1,3-oxazol-4-yl]methanamine?
[2-(3-methylfuran-2-yl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 178.19 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylfuran-2-yl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 65288641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).