3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2-oxazol-5-amine

C13H14N2O3 — CID 43670972

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2-oxazol-5-amine
SMILESCCc1c(-c2ccc3c(c2)OCCO3)noc1N
InChIInChI=1S/C13H14N2O3/c1-2-9-12(15-18-13(9)14)8-3-4-10-11(7-8)17-6-5-16-10/h3-4,7H,2,5-6,14H2,1H3
InChIKeyPDBSYGMURLIQFF-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.26
Rot. Bonds2

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2-oxazol-5-amine

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2-oxazol-5-amine (PubChem CID 43670972) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2-oxazol-5-amine
PubChem CID43670972
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2-oxazol-5-amine
SMILESCCc1c(-c2ccc3c(c2)OCCO3)noc1N
InChIInChI=1S/C13H14N2O3/c1-2-9-12(15-18-13(9)14)8-3-4-10-11(7-8)17-6-5-16-10/h3-4,7H,2,5-6,14H2,1H3
InChIKeyPDBSYGMURLIQFF-UHFFFAOYSA-N
XLogP2.26
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-dihydro-2-benzofuran-5-yl)-4-ethyl-1,2-oxazol-5-amine
CID 63743512
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-amine
CID 82079467
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1H-pyrimidin-6-one
CID 136692126
3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine
CID 43336233
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanamine
CID 28808405
4-ethyl-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine
CID 79694069
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-2-propylimidazol-4-amine
CID 62219055
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazole-1,5-diamine
CID 62483187
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine
CID 82483994
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-ethylthiophen-2-amine
CID 82366230
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethylpyrimidine
CID 43557902
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propan-2-yl-1,2-oxazol-3-amine
CID 66201299

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2-oxazol-5-amine (CID 43670972) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2-oxazol-5-amine is CCc1c(-c2ccc3c(c2)OCCO3)noc1N.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2-oxazol-5-amine?
The InChIKey is PDBSYGMURLIQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-2-9-12(15-18-13(9)14)8-3-4-10-11(7-8)17-6-5-16-10/h3-4,7H,2,5-6,14H2,1H3.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2-oxazol-5-amine?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2-oxazol-5-amine has a molecular weight of 246.27 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2-oxazol-5-amine is sourced from PubChem (CID 43670972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).