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

C13H14N2O2 — CID 63743512

IUPAC3-(1,3-dihydro-2-benzofuran-5-yl)-4-ethyl-1,2-oxazol-5-amine
SMILESCCc1c(-c2ccc3c(c2)COC3)noc1N
InChIInChI=1S/C13H14N2O2/c1-2-11-12(15-17-13(11)14)8-3-4-9-6-16-7-10(9)5-8/h3-5H,2,6-7,14H2,1H3
InChIKeyKOAREXAZRINRLI-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.52
Rot. Bonds2

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

3-(1,3-dihydro-2-benzofuran-5-yl)-4-ethyl-1,2-oxazol-5-amine (PubChem CID 63743512) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(1,3-dihydro-2-benzofuran-5-yl)-4-ethyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(1,3-dihydro-2-benzofuran-5-yl)-4-ethyl-1,2-oxazol-5-amine
PubChem CID63743512
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-(1,3-dihydro-2-benzofuran-5-yl)-4-ethyl-1,2-oxazol-5-amine
SMILESCCc1c(-c2ccc3c(c2)COC3)noc1N
InChIInChI=1S/C13H14N2O2/c1-2-11-12(15-17-13(11)14)8-3-4-9-6-16-7-10(9)5-8/h3-5H,2,6-7,14H2,1H3
InChIKeyKOAREXAZRINRLI-UHFFFAOYSA-N
XLogP2.52
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydro-2-benzofuran-5-yl)-4-ethyl-1,2-oxazol-5-amine?
The IUPAC name of 3-(1,3-dihydro-2-benzofuran-5-yl)-4-ethyl-1,2-oxazol-5-amine (CID 63743512) is 3-(1,3-dihydro-2-benzofuran-5-yl)-4-ethyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(1,3-dihydro-2-benzofuran-5-yl)-4-ethyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(1,3-dihydro-2-benzofuran-5-yl)-4-ethyl-1,2-oxazol-5-amine is CCc1c(-c2ccc3c(c2)COC3)noc1N.
What is the InChIKey of 3-(1,3-dihydro-2-benzofuran-5-yl)-4-ethyl-1,2-oxazol-5-amine?
The InChIKey is KOAREXAZRINRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-11-12(15-17-13(11)14)8-3-4-9-6-16-7-10(9)5-8/h3-5H,2,6-7,14H2,1H3.
What are the key properties of 3-(1,3-dihydro-2-benzofuran-5-yl)-4-ethyl-1,2-oxazol-5-amine?
3-(1,3-dihydro-2-benzofuran-5-yl)-4-ethyl-1,2-oxazol-5-amine has a molecular weight of 230.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydro-2-benzofuran-5-yl)-4-ethyl-1,2-oxazol-5-amine is sourced from PubChem (CID 63743512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).