N-(furan-2-ylmethyl)-5-methyl-1,2-oxazol-3-amine

C9H10N2O2 — CID 55212011

IUPACN-(furan-2-ylmethyl)-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(NCc2ccco2)no1
InChIInChI=1S/C9H10N2O2/c1-7-5-9(11-13-7)10-6-8-3-2-4-12-8/h2-5H,6H2,1H3,(H,10,11)
InChIKeyWYPVJIBGUJBVDA-UHFFFAOYSA-N
MW178.19 g/mol
LogP2.19
Rot. Bonds3

About N-(furan-2-ylmethyl)-5-methyl-1,2-oxazol-3-amine

N-(furan-2-ylmethyl)-5-methyl-1,2-oxazol-3-amine (PubChem CID 55212011) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-methyl-1,2-oxazol-3-amine
PubChem CID55212011
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC NameN-(furan-2-ylmethyl)-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(NCc2ccco2)no1
InChIInChI=1S/C9H10N2O2/c1-7-5-9(11-13-7)10-6-8-3-2-4-12-8/h2-5H,6H2,1H3,(H,10,11)
InChIKeyWYPVJIBGUJBVDA-UHFFFAOYSA-N
XLogP2.19
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of N-(furan-2-ylmethyl)-5-methyl-1,2-oxazol-3-amine (CID 55212011) is N-(furan-2-ylmethyl)-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-5-methyl-1,2-oxazol-3-amine is Cc1cc(NCc2ccco2)no1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-methyl-1,2-oxazol-3-amine?
The InChIKey is WYPVJIBGUJBVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-7-5-9(11-13-7)10-6-8-3-2-4-12-8/h2-5H,6H2,1H3,(H,10,11).
What are the key properties of N-(furan-2-ylmethyl)-5-methyl-1,2-oxazol-3-amine?
N-(furan-2-ylmethyl)-5-methyl-1,2-oxazol-3-amine has a molecular weight of 178.19 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 55212011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).