4-ethyl-5-(furan-3-yl)-1,2-oxazol-3-amine

C9H10N2O2 — CID 66199029

IUPAC4-ethyl-5-(furan-3-yl)-1,2-oxazol-3-amine
SMILESCCc1c(N)noc1-c1ccoc1
InChIInChI=1S/C9H10N2O2/c1-2-7-8(13-11-9(7)10)6-3-4-12-5-6/h3-5H,2H2,1H3,(H2,10,11)
InChIKeyCOMOWZPAQDLASE-UHFFFAOYSA-N
MW178.19 g/mol
LogP2.08
Rot. Bonds2

About 4-ethyl-5-(furan-3-yl)-1,2-oxazol-3-amine

4-ethyl-5-(furan-3-yl)-1,2-oxazol-3-amine (PubChem CID 66199029) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-ethyl-5-(furan-3-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-ethyl-5-(furan-3-yl)-1,2-oxazol-3-amine
PubChem CID66199029
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4-ethyl-5-(furan-3-yl)-1,2-oxazol-3-amine
SMILESCCc1c(N)noc1-c1ccoc1
InChIInChI=1S/C9H10N2O2/c1-2-7-8(13-11-9(7)10)6-3-4-12-5-6/h3-5H,2H2,1H3,(H2,10,11)
InChIKeyCOMOWZPAQDLASE-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(furan-3-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-ethyl-5-(furan-3-yl)-1,2-oxazol-3-amine (CID 66199029) is 4-ethyl-5-(furan-3-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-ethyl-5-(furan-3-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-ethyl-5-(furan-3-yl)-1,2-oxazol-3-amine is CCc1c(N)noc1-c1ccoc1.
What is the InChIKey of 4-ethyl-5-(furan-3-yl)-1,2-oxazol-3-amine?
The InChIKey is COMOWZPAQDLASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-2-7-8(13-11-9(7)10)6-3-4-12-5-6/h3-5H,2H2,1H3,(H2,10,11).
What are the key properties of 4-ethyl-5-(furan-3-yl)-1,2-oxazol-3-amine?
4-ethyl-5-(furan-3-yl)-1,2-oxazol-3-amine has a molecular weight of 178.19 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(furan-3-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).