1-(furan-3-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine

C9H10N2O2 — CID 79493496

IUPAC1-(furan-3-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine
SMILESc1cc(CNCc2ccon2)co1
InChIInChI=1S/C9H10N2O2/c1-3-12-7-8(1)5-10-6-9-2-4-13-11-9/h1-4,7,10H,5-6H2
InChIKeyNTYITAGDZAASTH-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.56
Rot. Bonds4

About 1-(furan-3-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine

1-(furan-3-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine (PubChem CID 79493496) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine
PubChem CID79493496
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name1-(furan-3-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine
SMILESc1cc(CNCc2ccon2)co1
InChIInChI=1S/C9H10N2O2/c1-3-12-7-8(1)5-10-6-9-2-4-13-11-9/h1-4,7,10H,5-6H2
InChIKeyNTYITAGDZAASTH-UHFFFAOYSA-N
XLogP1.56
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine?
The IUPAC name of 1-(furan-3-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine (CID 79493496) is 1-(furan-3-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(furan-3-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine is c1cc(CNCc2ccon2)co1.
What is the InChIKey of 1-(furan-3-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine?
The InChIKey is NTYITAGDZAASTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-3-12-7-8(1)5-10-6-9-2-4-13-11-9/h1-4,7,10H,5-6H2.
What are the key properties of 1-(furan-3-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine?
1-(furan-3-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine has a molecular weight of 178.19 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine is sourced from PubChem (CID 79493496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).